SCHEMBL11006337

SCHEMBL11006337

CSC(=NCCSCc1[nH]cnc1C)NC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SLC22A2 O15244 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GLA P06280 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ATP4A P20648 1/20 0.41
▸ HRH2 P25021 1/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ ATP4B P51164 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC47A2 Q86VL8 1/20 0.41
▸ SLC22A8 Q8TCC7 1/20 0.41
▸ SLC47A1 Q96FL8 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11006612 1.00 SMN1; SMN2 (0.41) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
SCHEMBL11066523 0.85 MEN1 (0.42) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
SCHEMBL11808533 0.85 HRH4 (0.43) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
SCHEMBL10413966 0.85 HRH4 (0.43) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
Hydrochloric Acid SCHEMBL11541915 0.84 L3MBTL1 (0.33) HRH2HRH4HRH3
Hydrochloric Acid SCHEMBL11541920 0.84 L3MBTL1 (0.33) HRH2HRH4HRH3
Cimetidine SCHEMBL11282982 0.84 HRH2 (0.46) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
Water SCHEMBL10860458 0.84 SLC47A1 (0.59) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
Cimetidine SCHEMBL7355211 0.84 HRH2 (0.46) SMN1; SMN2MEN1SLC22A2LMNACYP1A2
Cimetidine SCHEMBL7355215 0.84 HRH2 (0.46) SMN1; SMN2MEN1SLC22A2LMNACYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4499101-A HISTAMINE H2-ANTAGONISTS; ANTISECRETORY ANTIINFLAMMOATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1985-02-12 — — US disclosed
US-RE31588-E Imidazolylmethylthioethyl alkynyl guanidines BRISTOL-MYERS COMPANY (US) 1984-05-22 — — US disclosed
US-4440775-A HISTAMINE H2-ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1984-04-03 — — US disclosed
US-4388319-A ANTIHISTAMINES, ANTISECRETORY, ANTIINFLAMMATORY, HYPOTENSIVE AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1983-06-14 — — US disclosed
US-4347250-A ANTIHISTAMINES; ANTISECRETORY, CARDIOTONIC, AND ANTI-INFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-08-31 — — US disclosed
US-4333946-A ANTIINFLAMMATORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1982-06-08 — — US disclosed
US-4293699-A CONTAINING A BENZIMIDAZOLE OR 3-/5,6,7,8-TETRAHYDROIMIDAZO(1,5A)PYRIDINE, ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-10-06 — — US disclosed
US-4287198-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-09-01 — — US disclosed
US-4276301-A HISTAMINE ANTAGONISTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-30 — — US disclosed
US-4271169-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1981-06-02 — — US disclosed
US-4112234-A ANTIULCER BRISTOL-MYERS COMPANY (US) 1978-09-05 — — US disclosed
US-4112104-A UREA, THIOUREA OR GUANIDINE DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-09-05 — — US disclosed
US-4104382-A (((THIAZOLYL-, ISOTHIAZOLYL- OR PYRIDYLALKYL)THIO)ALKYL)GUANIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 — — US disclosed
US-4098898-A N-SUBSTITUTED-N'-HETEROCYCLIC ALKYLTHIOUREAS, GUANIDINES, AND ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-07-04 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — US disclosed
US-4025527-A H-2 HISTAMINE RECEPTOR INHIBITORS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-24 — — US disclosed
US-4024271-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-17 — — US disclosed
US-4022797-A PHARMACEUTICALS SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1977-05-10 — — US disclosed
US-4000302-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-12-28 — — US disclosed
US-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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