SCHEMBL13638585

SCHEMBL13638585

Cc1nc2cc(NCCN(C)C)ccc2c(=O)n1-c1ccc(NC(=O)NS(=O)(=O)C2=CCC(C)S2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.35
GLA P06280 1/20 0.34
ATM Q13315 4/20 0.34
BLM P54132 1/20 0.33
NME2 P22392 4/20 0.32
TOP2A P11388 1/20 0.32
HPD P32754 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL13638385 0.92 GLA (0.36) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL14228483 0.85 GLA (0.35) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL14113579 0.84 P2RY12 (0.39) TERTGLAATMTOP2AHPD
SCHEMBL12177083 0.84 MEN1 (0.31) TERTATMMEN1KMT2A
SCHEMBL12161470 0.82 P2RY12 (0.47) TERTGLAATMTOP2AHPD
SCHEMBL13638559 0.82 HPD (0.34) GLAHPDMEN1KMT2AL3MBTL1
SCHEMBL14228334 0.81 TERT (0.39) TERT
SCHEMBL13638542 0.81 PPARG (0.39)
SCHEMBL14228338 0.80 TSHR (0.40) L3MBTL1
SCHEMBL13638646 0.80 ATM (0.42) ATM

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