SCHEMBL11362104

SCHEMBL11362104

N#CNC(=N)NCCSCc1cc[nH]n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.37
▸ CYP2D6 P10635 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HRH2 P25021 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TSHR P16473 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ ATP4A P20648 1/20 0.37
▸ APEX1 P27695 1/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ ATP4B P51164 1/20 0.37
▸ SLC47A2 Q86VL8 1/20 0.37
▸ SLC22A8 Q8TCC7 1/20 0.37
▸ SLC47A1 Q96FL8 1/20 0.37

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
SCHEMBL10858131 0.83 ALDH1A1 (0.33) LMNASMN1; SMN2MAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL11362783 0.81 ALDH1A1 (0.33) LMNASMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11356484 0.81 HRH2 (0.58) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2
SCHEMBL11359410 0.79 BCHE (0.46) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2
SCHEMBL11356953 0.78 CYP3A4 (0.38) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2
SCHEMBL11361281 0.78 CYP3A4 (0.41) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2
SCHEMBL11367818 0.78 ALDH1A1 (0.34) CYP3A4CYP2D6LMNASMN1; SMN2CYP1A2
SCHEMBL11360127 0.78 CYP3A4 (0.36) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2
SCHEMBL11363791 0.78 CYP3A4 (0.37) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2
SCHEMBL11355196 0.77 BCHE (0.49) CYP3A4CYP2D6LMNAHRH2SMN1; SMN2

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 10 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-4221802-A Pharmacologically active guanidine compounds for inhibiting H-2 histamine receptors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1980-09-09 — — 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-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-3950333-A HISTAMINE INHIBITORS, OXYALKYL, THIOALKYL, AMINOALKYL DERIVATIVES SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) 1976-04-13 — — US disclosed
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