SCHEMBL30189952

SCHEMBL30189952

Cc1cc(OCCNS(=O)(=O)c2ccc(F)cc2)cc2sc(Br)nc12

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F2RL3 Q96RI0 4/20 0.51
GLRA3 O75311 1/20 0.47
TP53 P04637 2/20 0.46
THRB P10828 1/20 0.46
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL19782740 1.00 F2RL3 (0.51) F2RL3GLRA3TP53THRBALDH1A1
SCHEMBL19783267 0.82 GLRA3 (0.47) F2RL3GLRA3TP53THRBALDH1A1
SCHEMBL30187576 0.81 F2RL3 (0.63) F2RL3GLRA3TP53THRBALDH1A1
SCHEMBL19782614 0.81 F2RL3 (0.63) F2RL3GLRA3TP53THRBALDH1A1
SCHEMBL19782739 0.79 F2RL3 (0.34) F2RL3TP53TDP1MAPTHTT
SCHEMBL21379388 0.79 F2RL3 (0.76) F2RL3GLRA3TP53THRBALDH1A1
SCHEMBL19783277 0.79 F2RL3 (0.74) F2RL3GLRA3TP53TDP1MAPT
SCHEMBL19783425 0.78 F2RL3 (0.73) F2RL3GLRA3
SCHEMBL19783071 0.78 F2RL3 (0.85) F2RL3
SCHEMBL21379471 0.78 F2RL3 (0.73) F2RL3GLRA3TP53ALDH1A1TDP1

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed