SCHEMBL13638706

SCHEMBL13638706

Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3ccc(F)s3)cn1)C(=O)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
USP2 O75604 1/20 0.36
TP53 P04637 1/20 0.36
KCNA1 Q09470 4/20 0.35
KCNAB1 Q14722 4/20 0.35
FBP1 P09467 3/20 0.35
GRM1 Q13255 2/20 0.34
GRM4 Q14833 1/20 0.34
P2RY12 Q9H244 1/20 0.33

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
SCHEMBL9922213 0.93 CA12 (0.36) MEN1KMT2ACA12CA1CA2
SCHEMBL9922209 0.91 CA12 (0.36) MEN1KMT2ACA12CA1CA2
SCHEMBL14228254 0.91 FPR2 (0.36) MEN1KMT2ACA12CA1CA2
SCHEMBL9922214 0.90 FBP1 (0.36) CA12CA1CA2CA9FBP1
SCHEMBL12177301 0.90 CA12 (0.33) CA12CA1CA2CA9FBP1
SCHEMBL9922182 0.90 CA12 (0.33) CA12CA1CA2CA9FBP1
SCHEMBL12161605 0.90 P2RY12 (0.32) CA12CA1CA2CA9FBP1
SCHEMBL12161602 0.90 KMT2A (0.41) MEN1KMT2ACA12CA1CA2
SCHEMBL9922210 0.89 CA12 (0.41) MEN1KMT2ACA12CA1CA2
SCHEMBL9922211 0.89 MAPT (0.35) CA12CA1CA2CA9CA4

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