SCHEMBL25119511

SCHEMBL25119511

CNc1ccc(C)cc1NCC=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.33
KAT2B Q92831 2/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
RAPGEF4 Q8WZA2 1/20 0.32

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
SCHEMBL8995877 0.79 GAA (0.47) MEN1KMT2ASMN1; SMN2GAAHTT
SCHEMBL20862099 0.77 MAPT (0.40) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL12889181 0.76 HPGD (0.45) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL14549536 0.76 HPGD (0.40) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL26759422 0.73 CYP1A2 (0.34) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL23652392 0.73 MEN1 (0.37) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL19451888 0.72 HPGD (0.40) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL8293208 0.70 MEN1 (0.35) CYP1A2CYP2C9CYP2C19HPGDMEN1
SCHEMBL20440522 0.70 FGFR4 (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL14037701 0.69 SRC (0.44) CYP1A2CYP2C9CYP2C19HPGDMEN1

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-4159736-A1 NOVEL TRICYCLIC AROMATIC HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Longwood Biopharmaceuticals Co., Ltd. (CN) 2023-04-05 EP disclosed