SCHEMBL31039229

SCHEMBL31039229

COc1ccc(CN2Cc3ccc(CC#N)cc3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 6/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 2/20 0.44
CASP3 P42574 2/20 0.44
APAF1 O14727 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.44
TNF P01375 3/20 0.43
CHRM5 P08912 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PARP1 P09874 1/20 0.41
CMA1 P23946 1/20 0.41

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
SCHEMBL6442206 0.87 ADAM17 (0.56) ADAM17MEN1KMT2AGAACASP3
SCHEMBL18863244 0.82 ADAM17 (0.51) ADAM17MEN1KMT2AGAACASP3
SCHEMBL28242054 0.82 ADAM17 (0.46) ADAM17MEN1KMT2AGAACASP3
SCHEMBL31298892 0.82 KDM4E (0.47) ADAM17MEN1KMT2AGAACASP3
SCHEMBL31039203 0.82 ADAM17 (0.46) ADAM17MEN1KMT2AGAACASP3
SCHEMBL20773874 0.82 PARK7 (0.50) ADAM17MEN1KMT2AGAACASP3
SCHEMBL29507053 0.82 PARK7 (0.50) ADAM17MEN1KMT2AGAACASP3
SCHEMBL8347364 0.82 ADAM17 (0.48) ADAM17MEN1KMT2AGAACASP3
SCHEMBL27086033 0.82 PTGS1 (0.49) ADAM17MEN1KMT2APOLBTNF
SCHEMBL30817456 0.82 MEN1 (0.64) MEN1KMT2AGAACASP3APAF1

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
EP-4655296-A1 CBL-B INHIBITORS Aurigene Oncology Limited (IN) 2025-12-03 EP disclosed
WO-2024156938-A1 CBL-B INHIBITORS ORION CORPORATION (FI) 2024-08-02 WO disclosed