SCHEMBL20170368

SCHEMBL20170368

Cc1c(C=O)cc(CCF)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
ALOX15 P16050 1/20 0.40
PRKDC P78527 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.36
ERN1 O75460 6/20 0.36
ALDH3A1 P30838 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
CCR6 P51684 1/20 0.33
RECQL P46063 2/20 0.33
POLB P06746 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
SCHEMBL15776593 0.76 CYP3A4 (0.45) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7103655 0.75 GPR35 (0.52) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7101305 0.72 ERN1 (0.65) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL15776986 0.72 MAPT (0.47) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL19785896 0.72 CYP3A4 (0.41) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL26626576 0.67 MEN1 (0.39) ALDH1A1CYP3A4CYP1A2MEN1KMT2A
SCHEMBL31451428 0.67 TSHR (0.47) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL7555323 0.67 TSHR (0.50) MAPTALDH1A1KDM4ECYP3A4ALOX15
SCHEMBL11615026 0.66 ERN1 (0.51) ERN1
SCHEMBL28712131 0.66 ERN1 (0.56) MAPTALDH1A1KDM4ECYP3A4ALOX15

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-3323820-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. (US) 2018-05-23 EP disclosed