SCHEMBL13638623

SCHEMBL13638623

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(N3C(=O)Cc4cc(NC5CC5)ccc4C3=O)c(F)c2)s1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KCNA1 Q09470 7/20 0.35
KCNAB1 Q14722 7/20 0.35
GRM1 Q13255 6/20 0.34
GRM4 Q14833 4/20 0.34
P2RY12 Q9H244 1/20 0.34
KIT P10721 1/20 0.32

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
SCHEMBL9922302 0.91 P2RY12 (0.41) KCNA1KCNAB1P2RY12
SCHEMBL9922176 0.88 BRD4 (0.40) BRD4CREBBPMEN1KMT2AKCNA1
SCHEMBL9922574 0.88 BRD4 (0.39) BRD4CREBBPMEN1KMT2AKCNA1
SCHEMBL9922576 0.88 BRD4 (0.39) BRD4CREBBPMEN1KMT2AKCNA1
SCHEMBL9922180 0.87 KMT2A (0.37) MEN1KMT2A
SCHEMBL13638622 0.85 BRD4 (0.36) BRD4CREBBPMEN1KMT2AKCNA1
SCHEMBL12177060 0.84 BRD4 (0.38) BRD4CREBBPKCNA1KCNAB1P2RY12
SCHEMBL13638507 0.84 BRD4 (0.38) BRD4CREBBPKCNA1KCNAB1P2RY12
SCHEMBL9923127 0.83 GRM1 (0.40) KCNA1KCNAB1GRM1P2RY12
SCHEMBL9922582 0.83 HRH3 (0.37) BRD4CREBBP

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
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed