SCHEMBL13638511

SCHEMBL13638511

Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(-n3c(C)nc4cc(N(C)C)ccc4c3=O)cc2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.45
TP53 P04637 3/20 0.42
PPARG P37231 2/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NR2E3 Q9Y5X4 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NOD1 Q9Y239 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
HDAC3 O15379 1/20 0.39
APP P05067 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL9922363 0.93 P2RY12 (0.54) P2RY12TP53PPARGRAB9ARXFP1
SCHEMBL13638604 0.88 KMT2A (0.40) P2RY12PPARGRAB9ARXFP1NR2E3
SCHEMBL13638708 0.88 P2RY12 (0.40) P2RY12PPARGRAB9ARXFP1NR2E3
SCHEMBL9922360 0.86 P2RY12 (0.45) P2RY12TP53PPARGNOD1MAPT
SCHEMBL12177260 0.86 P2RY12 (0.44) P2RY12TP53PPARGNOD1MAPT
SCHEMBL12177232 0.85 P2RY12 (0.43) P2RY12TP53PPARGNOD1MAPT
SCHEMBL14228575 0.85 P2RY12 (0.45) P2RY12TP53PPARGRAB9ANOD1
SCHEMBL14228643 0.84 PPARG (0.41) P2RY12PPARGRAB9ARXFP1NR2E3
SCHEMBL12177198 0.84 P2RY12 (0.45) P2RY12TP53PPARGNOD1MAPT
SCHEMBL9922358 0.83 P2RY12 (0.45) P2RY12TP53PPARGNOD1MAPT

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