SCHEMBL13638637

SCHEMBL13638637

CNc1ccc2c(=O)n(-c3cnc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cn3)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.36
FBP1 P09467 5/20 0.33
MAPT P10636 1/20 0.32
NAMPT P43490 1/20 0.31
KIT P10721 1/20 0.31
CREBBP Q92793 2/20 0.31
BRD4 O60885 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NLRP3 Q96P20 1/20 0.30
MEN1 O00255 1/20 0.30
S1PR4 O95977 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
S1PR1 P21453 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9922994 0.93 P2RY12 (0.43) P2RY12FBP1MAPTALDH1A1SMN1; SMN2
SCHEMBL13638638 0.87 P2RY12 (0.38) P2RY12FBP1CREBBPBRD4SMN1; SMN2
SCHEMBL13638378 0.87 P2RY12 (0.36) P2RY12FBP1NAMPTKITCREBBP
SCHEMBL9922690 0.82 P2RY12 (0.46) P2RY12FBP1MAPTALDH1A1MEN1
SCHEMBL12177212 0.81 P2RY12 (0.34) P2RY12FBP1MAPTNAMPTKIT
SCHEMBL13638634 0.81 P2RY12 (0.34) P2RY12FBP1KITCREBBPMEN1
SCHEMBL9922996 0.81 P2RY12 (0.44) P2RY12FBP1MAPTALDH1A1SMN1; SMN2
SCHEMBL13638632 0.80 P2RY12 (0.42) P2RY12KITCREBBPBRD4MEN1
SCHEMBL9923271 0.79 P2RY12 (0.43) P2RY12FBP1MAPTALDH1A1SMN1; SMN2
SCHEMBL9922051 0.77 P2RY12 (0.38) P2RY12FBP1NAMPTKITCREBBP

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