SCHEMBL13638374

SCHEMBL13638374

CNc1cc2ncn(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cn3)c(=O)c2cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.39
FBP1 P09467 11/20 0.35
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 4/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
S1PR4 O95977 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
HPGD P15428 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
SCHEMBL9922542 0.92 P2RY12 (0.47) P2RY12FBP1CA12CA1CA2
SCHEMBL13638645 0.90 P2RY12 (0.43) P2RY12FBP1MEN1KMT2AS1PR4
SCHEMBL12177098 0.85 P2RY12 (0.34) P2RY12FBP1CA12CA1CA2
SCHEMBL12177095 0.84 P2RY12 (0.34) P2RY12FBP1CA12CA1CA2
SCHEMBL9922540 0.84 P2RY12 (0.48) P2RY12FBP1CA12CA1CA2
SCHEMBL12177099 0.83 P2RY12 (0.34) P2RY12FBP1CA12CA1CA2
SCHEMBL14113585 0.82 P2RY12 (0.47) P2RY12FBP1CA12CA1CA2
SCHEMBL12177100 0.82 WEE1 (0.34) P2RY12FBP1CA12CA1CA2
SCHEMBL9922131 0.82 P2RY12 (0.54) P2RY12FBP1MEN1KMT2AALDH1A1
SCHEMBL9922303 0.82 P2RY12 (0.46) P2RY12FBP1CA12CA1CA2

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