SCHEMBL3476148

SCHEMBL3476148

Fc1ccc(-c2cn3nc(Br)sc3n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 11/20 0.65
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA9 Q16790 2/20 0.56
TP53 P04637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL19475525 0.84 F2RL3 (0.67) F2RL3CA12CA1CA2CA9
SCHEMBL10749425 0.83 TP53 (0.71) F2RL3CA12CA1CA2CA9
SCHEMBL19434320 0.82 TP53 (0.51) F2RL3CA12CA1CA2CA9
SCHEMBL19434327 0.80 TP53 (0.50) F2RL3CA12CA1CA2CA9
SCHEMBL15478021 0.80 TP53 (0.54) F2RL3TP53NPC1RAB9ASMN1; SMN2
SCHEMBL19510095 0.79 F2RL3 (1.00) F2RL3
SCHEMBL12714463 0.79 F2RL3 (0.63) F2RL3CA12CA1CA2CA9
SCHEMBL2257560 0.79 TP53 (0.83) F2RL3CA12CA1CA2CA9
SCHEMBL19510099 0.79 F2RL3 (0.75) F2RL3CA12CA1CA2CA9
SCHEMBL19434388 0.78 F2RL3 (0.70) F2RL3CA12CA1CA2CA9

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
WO-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed
WO-2010130934-A2 2-CYCLOAMINO-5-(PYRIDIN-4-YL)IMIDAZO[2,1-B][1,3,4]THIADIAZOLE DERIVATIVES, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-11-18 WO disclosed