SCHEMBL9367118

SCHEMBL9367118

Cc1c(-c2cc[n+]([O-])cc2)n(-c2ccccc2)c(-c2ccccc2)cc1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
PLK1 P53350 1/20 0.39
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS2 P35354 2/20 0.36
PTGS1 P23219 1/20 0.36
MDM2 Q00987 1/20 0.36
HPGD P15428 1/20 0.35
COMT P21964 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10724548 0.89 TSHR (0.55) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9367530 0.81 TSHR (0.51) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9371007 0.81 KMT2A (0.49) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9373872 0.79 CYP2C9 (0.46) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9369978 0.78 MDM4 (0.52) TSHRKMT2AKDM4EMEN1LMNA
SCHEMBL9375173 0.78 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL9373932 0.77 MDM4 (0.51) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9376289 0.77 CYP2C9 (0.42) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9370377 0.77 CYP2C9 (0.44) TSHRCYP2C9KMT2ARECQLKDM4E
SCHEMBL9370626 0.77 KMT2A (0.53) TSHRCYP2C9KMT2ARECQLKDM4E

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-0304057-B1 Pyridinone derivatives, and agricultural and horticultural fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1994-04-20 EP disclosed
EP-0304057-A2 Pyridinone derivatives, and agricultural and horticultural fungicidal compositions containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1989-02-22 EP disclosed