SCHEMBL31357337

SCHEMBL31357337

C=CC(=O)n1ccc2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KRAS P01116 14/20 0.50
FABP4 P15090 2/20 0.40
MCL1 Q07820 1/20 0.40
FABP3 P05413 1/20 0.39
FABP2 P12104 1/20 0.39
FABP5 Q01469 1/20 0.39
FGFR1 P11362 1/20 0.38
FGFR4 P22455 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL21808239 1.00 KRAS (0.50) KRASFABP4MCL1FABP3FABP2
SCHEMBL20905233 0.81 OXER1 (0.54) KRASFGFR1FGFR4HTR2AHTR2C
SCHEMBL20905232 0.81 TFPI2 (0.47) KRASFABP4HTR2AHTR2C
SCHEMBL4379598 0.80 MCL1 (0.47) KRASFABP4MCL1FABP3FABP2
SCHEMBL20905230 0.78 AKR1C3 (0.38) KRASMCL1
SCHEMBL5785852 0.78 HTR2A (0.44) KRASFABP4MCL1FABP3FABP2
SCHEMBL12749675 0.78 NOTUM (0.58) FABP4MCL1FABP3FABP2FABP5
SCHEMBL31607288 0.78 NOTUM (0.58) FABP4MCL1FABP3FABP2FABP5
SCHEMBL20905231 0.77 KRAS (0.53) KRAS
SCHEMBL21401774 0.77 TYR (0.37) KRAS

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-112739695-B Novel thiazole derivative and pharmaceutically acceptable salt thereof 永进药品工业株式会社 2025-03-18 CN disclosed