SCHEMBL27985607

SCHEMBL27985607

Cn1ccc(CC(=O)Nc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.51
GLS O94925 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
HTT P42858 2/20 0.47
NAMPT P43490 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL27770848 0.81 ELOVL1 (0.58) EPHX2MEN1KMT2AHTTCYP2C9
SCHEMBL24934212 0.79 GLS (0.48) EPHX2GLSHTTNAMPTLMNA
SCHEMBL26334530 0.78 GLS (0.47) EPHX2GLSHTTNAMPTLMNA
SCHEMBL21286259 0.76 KMT2A (0.60) EPHX2MEN1KMT2ACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL23581663 0.75 EPHX2 (0.41) EPHX2GLSKMT2AHTTNAMPT
SCHEMBL25862562 0.75 CCNE1 (0.47) EPHX2GLSMEN1KMT2AHTT
SCHEMBL1779536 0.73 RAB9A (0.66) MEN1KMT2AHTTPOLBLMNA
SCHEMBL13817564 0.73 CACNA1G (0.68) EPHX2HTTCYP1A2CYP2C9CYP2C19
SCHEMBL13235059 0.72 NPC1 (0.73) EPHX2MEN1KMT2AHTTLMNA
SCHEMBL2028409 0.71 CA1 (0.69) EPHX2GLSMEN1KMT2APOLB

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-104039768-A PROCESS FOR PREPARING ACETANILIDES BASF SE 2014-09-10 CN disclosed