SCHEMBL9543262

SCHEMBL9543262

Oc1occ2cnccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
MAPKAPK2 P49137 1/20 0.47
ERN1 O75460 1/20 0.41
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EP300 Q09472 1/20 0.37
KAT2B Q92831 1/20 0.37
KAT8 Q9H7Z6 1/20 0.37
IMPDH2 P12268 4/20 0.36
HTT P42858 2/20 0.35
ALDH1A1 P00352 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
CACNA1B Q00975 2/20 0.34
DAO P14920 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL16837159 0.88 KDM4E (0.38) KDM4EMAPKAPK2ERN1LMNACYP1A2
SCHEMBL28035043 0.75 HTT (0.39) KDM4EMAPKAPK2ERN1LMNACYP1A2
SCHEMBL169349 0.73 KDM4E (0.37) KDM4EMAPKAPK2ERN1LMNACYP1A2
SCHEMBL28306537 0.71 CYP1A2 (0.41) KDM4ECYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29903165 0.71 TNF (0.40) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL376002 0.71 TNF (0.40) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL28461299 0.69 CYP3A4 (0.34) KDM4EMAPKAPK2ERN1LMNACYP1A2
SCHEMBL28253511 0.69 TNF (0.42) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL29442605 0.67 CYP3A4 (0.36) KDM4EMAPKAPK2LMNACYP1A2CYP3A4
SCHEMBL275572 0.67 KDM4E (0.63) KDM4EMAPKAPK2ERN1LMNACYP1A2

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
WO-1993015082-A1 SEPARATION OF ISOMERS OF FURO[3,4-c]PYRIDINE DERIVATIVES ESANU ANDRE (FR) 1993-08-05 WO disclosed