SCHEMBL13633639

SCHEMBL13633639

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cc(Cl)c(Cl)s4)cc3)cc(C(C)NCCN3CCOCC3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
CNR1 P21554 1/20 0.36
P2RY12 Q9H244 1/20 0.35
EPHX2 P34913 6/20 0.35
EGFR P00533 1/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33
SHMT2 P34897 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NAMPT P43490 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
SCHEMBL13633779 0.94 P2RY12 (0.36) CNR1P2RY12
SCHEMBL12161541 0.87 EPHX2 (0.43) SMN1; SMN2CNR1EPHX2LMNAKMT2A
SCHEMBL13633815 0.87 P2RY12 (0.37) P2RY12
SCHEMBL9922972 0.81 EPHX2 (0.42) SMN1; SMN2CNR1EPHX2KMT2A
SCHEMBL13638572 0.81 P2RY12 (0.37) P2RY12
SCHEMBL9922601 0.81 EPHX2 (0.41) CNR1P2RY12EPHX2EGFR
SCHEMBL9922261 0.78 EPHX2 (0.43) SMN1; SMN2CNR1P2RY12EPHX2MAPT
SCHEMBL14228353 0.78 P2RY12 (0.42) SMN1; SMN2P2RY12MAPTLMNAHTT
SCHEMBL12161536 0.78 P2RY12 (0.43) SMN1; SMN2P2RY12MAPTLMNAHTT
SCHEMBL13638573 0.78 P2RY12 (0.43) SMN1; SMN2P2RY12MAPTLMNAHTT

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