SCHEMBL13638498

SCHEMBL13638498

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3I)cc(C(=O)NCCN3CCOCC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.39
SHMT2 P34897 1/20 0.36
GBA1 P04062 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 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
SCHEMBL12177299 0.94 EPHX2 (0.41) EPHX2SHMT2SMN1; SMN2MEN1KMT2A
SCHEMBL12177253 0.92 EPHX2 (0.46) EPHX2SHMT2
SCHEMBL12177178 0.90 EPHX2 (0.43) EPHX2SHMT2GBA1RXFP1POLB
SCHEMBL9922427 0.88 EPHX2 (0.42) EPHX2SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL13638503 0.88 P2RY12 (0.39) EPHX2CNR1
SCHEMBL12177281 0.86 EPHX2 (0.43) EPHX2SMN1; SMN2
SCHEMBL9922814 0.86 EPHX2 (0.46) EPHX2SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL12177207 0.84 EPHX2 (0.41) EPHX2POLBCNR1
SCHEMBL9922261 0.83 EPHX2 (0.43) EPHX2SMN1; SMN2MEN1KMT2ACNR1
SCHEMBL9922193 0.83 EPHX2 (0.47) EPHX2RAB9ANPC1KMT2A

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