SCHEMBL6667787

SCHEMBL6667787

[CH2]C#Cc1cc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(CC)c2s1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
F2 P00734 1/20 0.49

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
SCHEMBL6707876 0.90 MEN1 (0.51) MEN1KMT2AF2
SCHEMBL6710724 0.89 MEN1 (0.51) MEN1KMT2A
SCHEMBL6708160 0.84 MEN1 (0.57) MEN1KMT2AF2
SCHEMBL6707968 0.84 MEN1 (0.56) MEN1KMT2AF2
SCHEMBL6363865 0.83 KCNH2 (0.58) MEN1KMT2A
SCHEMBL6362900 0.83 KCNH2 (0.58)
SCHEMBL6707956 0.83 MEN1 (0.45) MEN1KMT2A
SCHEMBL6710733 0.82 MEN1 (0.45) MEN1KMT2A
SCHEMBL6709250 0.82 KCNH2 (0.47)
Hydrochloric Acid SCHEMBL7477616 0.81 MEN1 (0.44) MEN1KMT2A

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
WO-2004019939-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
EP-1159279-B1 4-OXO-4,7-DIHYDRO-THIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS UPJOHN CO (US) 2002-10-16 EP claimed
WO-2004019939-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed