SCHEMBL6668294

SCHEMBL6668294

O=C(NCc1ccc(Cl)cc1)c1cn(CCSc2ccc(Cl)cc2)c2ccc(CN3CCOCC3)cc2c1=O

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLA1 P09884 2/20 0.59
KCNH2 Q12809 7/20 0.58
F2 P00734 1/20 0.57
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MAPT P10636 2/20 0.53
ENPP2 Q13822 1/20 0.47
TP53 P04637 1/20 0.46

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
SCHEMBL6667353 0.96 POLA1 (0.57) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6668377 0.93 F2 (0.59) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6697165 0.90 F2 (0.60) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6667644 0.89 F2 (0.57) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6670482 0.88 KCNH2 (0.59) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6694680 0.88 POLA1 (0.60) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6698352 0.87 F2 (0.62) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6668954 0.87 KCNH2 (0.57) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6693197 0.86 KCNH2 (0.59) POLA1KCNH2F2MEN1KMT2A
SCHEMBL6697748 0.86 KCNH2 (0.58) POLA1KCNH2F2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed