SCHEMBL30004078

SCHEMBL30004078

COc1ccc2c(c1)C(=O)C=C(N)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
CYP19A1 P11511 2/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NSD2 O96028 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
GAPDH P04406 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL23271902 1.00 PTPN1 (0.49) PTPN1CYP19A1MEN1KMT2ANSD2
SCHEMBL12760759 0.81 ALDH1A1 (0.53) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL5822222 0.81 IDO1 (0.62) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL30003084 0.81 IDO1 (0.62) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL30002619 0.81 ALDH1A1 (0.53) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL30003193 0.80 MEN1 (0.54) PTPN1CYP19A1MEN1KMT2ANSD2
SCHEMBL9627655 0.80 MEN1 (0.54) PTPN1CYP19A1MEN1KMT2ANSD2
SCHEMBL9178172 0.79 PTPN1 (0.49) PTPN1MEN1KMT2ANSD2L3MBTL1
SCHEMBL9628296 0.79 PTPN1 (0.49) PTPN1CYP19A1MEN1KMT2ANSD2
SCHEMBL30003052 0.79 PTPN1 (0.49) PTPN1MEN1KMT2ANSD2L3MBTL1

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed