SCHEMBL13638542

SCHEMBL13638542

CCNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)C4=CCC(C)S4)cc3)c(C)nc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
HDAC3 O15379 1/20 0.36
APP P05067 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
P2RY12 Q9H244 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL14113540 0.92 PPARG (0.40) PPARGTP53MAPTLMNAHDAC3
SCHEMBL13638385 0.89 GLA (0.36) PPARGP2RY12NOD1
SCHEMBL14113710 0.83 PPARG (0.40) PPARGTP53MAPTLMNAHDAC3
SCHEMBL9922360 0.82 P2RY12 (0.45) PPARGTP53MAPTLMNAHDAC3
SCHEMBL13638585 0.81 TERT (0.35)
SCHEMBL9922362 0.80 P2RY12 (0.54) PPARGTP53MAPTLMNAHDAC3
SCHEMBL13638709 0.80 HRH3 (0.45) PPARGTP53KCNH2HRH3
SCHEMBL13182848 0.78 HRH3 (0.40) KCNH2HRH3
SCHEMBL14228575 0.76 P2RY12 (0.45) PPARGTP53MAPTLMNAHDAC3
SCHEMBL13638646 0.76 ATM (0.42)

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