SCHEMBL11368120

SCHEMBL11368120

CNC(=NCCSCc1c(C)n[nH]c1C)NC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ HRH2 P25021 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SLC22A2 O15244 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ATP4A P20648 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ PDE4A P27815 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ATP4B P51164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC47A2 Q86VL8 1/20 0.38

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
SCHEMBL11368116 1.00 BCHE (0.38) BCHEACHEHRH2MEN1LMNA
SCHEMBL11366630 0.82 BCHE (0.38) BCHEACHEHRH2MEN1LMNA
SCHEMBL11366649 0.82 BCHE (0.38) BCHEACHEHRH2MEN1LMNA
SCHEMBL11355042 0.81 BCHE (0.39) BCHEACHEHRH2MEN1LMNA
SCHEMBL11355046 0.81 BCHE (0.39) BCHEACHEHRH2MEN1LMNA
SCHEMBL11383027 0.81 KDM4E (0.38) HRH2MEN1LMNAKMT2AKDM4E
SCHEMBL11383014 0.81 KDM4E (0.38) HRH2MEN1LMNAKMT2AKDM4E
SCHEMBL11363334 0.80 BCHE (0.40) BCHEACHEHRH2MEN1LMNA
SCHEMBL11363337 0.80 BCHE (0.40) BCHEACHEHRH2MEN1LMNA
SCHEMBL11368126 0.78 CYP3A4 (0.61) BCHEACHEHRH2MEN1LMNA

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 9 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-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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