SCHEMBL9786606

SCHEMBL9786606

CNC(=O)c1[nH]c(=S)[nH]c1C

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.47
▸ CREBBP Q92793 3/20 0.47
▸ BRPF1 P55201 2/20 0.47
▸ EP300 Q09472 1/20 0.42
▸ PDK2 Q15119 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL9786663 0.77 KDM4E (0.32) KDM4ERXFP1
SCHEMBL276284 0.68 CYP1A2 (0.56) BRD4KDM4ESMN1; SMN2GAAKMT2A
SCHEMBL7037055 0.65 — —
SCHEMBL9787252 0.63 PDE4A (0.45) KDM4ESMN1; SMN2MAPT
SCHEMBL24263869 0.62 BRD4 (0.67) BRD4CREBBPBRPF1EP300PDK2
SCHEMBL16543118 0.61 BRD4 (0.50) BRD4CREBBPBRPF1EP300PDK2
SCHEMBL20577753 0.61 CYP2C19 (0.44) BRPF1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL21916084 0.61 BRD4 (0.55) BRD4CREBBPBRPF1EP300PDK2
SCHEMBL15436509 0.60 PTPN11 (0.43) BRD4CREBBPBRPF1EP300PDK2
SCHEMBL21547813 0.60 BRD4 (0.36) BRD4CREBBPBRPF1EP300PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002961-A Antiischemic Agents, Preventing Reperfusion Injuries MERRELL DOW PHARMACEUTICALS (US) 1991-03-26 — — US disclosed
EP-0078546-B1 NOVEL IMIDAZOLECARBOXAMIDE DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-11-12 — — EP disclosed
EP-0078546-A1 Novel imidazolecarboxamide derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1983-05-11 — — EP disclosed
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