SCHEMBL11373452

SCHEMBL11373452

CN=C(NC#N)NCCSCc1cncs1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.55
▸ CYP2D6 P10635 3/20 0.55
▸ HRH2 P25021 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ LMNA P02545 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ SLC22A2 O15244 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ ATP4A P20648 1/20 0.55
▸ APEX1 P27695 1/20 0.55
▸ PDE4A P27815 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ ADRA1A P35348 1/20 0.55
▸ ATP4B P51164 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ SLC47A2 Q86VL8 1/20 0.55
▸ SLC22A8 Q8TCC7 1/20 0.55

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
SCHEMBL11369840 0.81 HRH4 (0.46) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11364306 0.79 CYP3A4 (0.60) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11373449 0.79 BCHE (0.42) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11373448 0.79 BCHE (0.42) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11365829 0.78 CYP3A4 (0.57) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11720813 0.78 CYP3A4 (0.59) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11354163 0.77 CYP3A4 (0.58) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11353503 0.77 CYP3A4 (0.70) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11353499 0.77 CYP3A4 (0.70) CYP3A4CYP2D6HRH2MAPTLMNA
SCHEMBL11657286 0.77 CYP3A4 (0.58) CYP3A4CYP2D6HRH2MAPTLMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-4228291-A INHIBITORS OF HISTAMINE ACTIVITY SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-10-14 — — US disclosed
US-4154844-A ANTIHISTAMINE, GASTRIC JUICE ANTISECRETORY AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-05-15 — — US disclosed
US-4137237-A ANTIHISTAMINES SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1979-01-30 — — US disclosed
US-4104382-A (((THIAZOLYL-, ISOTHIAZOLYL- OR PYRIDYLALKYL)THIO)ALKYL)GUANIDINE SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1978-08-01 — — US disclosed
US-4070475-A THIOALKYL-, AMINOALKYL-, AND OXYALKYL- SUBSTITUTED GUANIDINES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1978-01-24 — — 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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