SCHEMBL31723349

SCHEMBL31723349

COC(C)(C)Cn1ccc2ccc(Br)cc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 3/20 0.48
PSMB5 P28074 3/20 0.48
TNF P01375 7/20 0.39
KDM4E B2RXH2 2/20 0.38
HTR7 P34969 1/20 0.37
POLB P06746 1/20 0.37
MCL1 Q07820 1/20 0.36
DDR1 Q08345 2/20 0.34
LMNA P02545 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL30224160 0.80 PSMB1 (0.49) PSMB1PSMB5KDM4EHTR7POLB
SCHEMBL2950988 0.80 PSMB1 (0.49) PSMB1PSMB5KDM4EHTR7POLB
SCHEMBL31241139 0.78 PSMB1 (0.55) PSMB1PSMB5TNFKDM4EPOLB
SCHEMBL31559241 0.78 PSMB1 (0.50) PSMB1PSMB5TNFKDM4EPOLB
SCHEMBL114949 0.77 CYP2C9 (0.35) HTR7
SCHEMBL18955878 0.76 PSMB1 (0.58) PSMB1PSMB5TNFKDM4EMCL1
SCHEMBL31723379 0.76 MCL1 (0.56) TNFPOLBMCL1DDR1LMNA
SCHEMBL31240999 0.76 PSMB1 (0.53) PSMB1PSMB5TNF
SCHEMBL20786907 0.74 HTR7 (0.42) PSMB1PSMB5TNFKDM4EHTR7
SCHEMBL31723380 0.74 GRM2 (0.33) KDM4E

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
EP-4647433-A1 SHP2 INHIBITOR AND USES THEREOF Kanaph Therapeutics Inc. (KR) 2025-11-12 EP disclosed