SCHEMBL20439701

SCHEMBL20439701

COC(=O)/C=C/c1cnc(OC)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.50
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX2 P34913 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RECQL P46063 1/20 0.41
PABPC1 P11940 1/20 0.40
FDPS P14324 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40

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
SCHEMBL29551120 1.00 NNMT (0.50) NNMTKMT2AALDH1A1KDM4EMEN1
SCHEMBL20439711 0.88 DPP4 (0.48) NNMTMAPTFDPSCCNCCDK8
SCHEMBL29550737 0.88 DPP4 (0.48) NNMTMAPTFDPSCCNCCDK8
SCHEMBL20425589 0.88 NNMT (0.54) NNMTKMT2AALDH1A1KDM4EMEN1
SCHEMBL18613639 0.82 KMT2A (0.43) NNMTKMT2AALDH1A1KDM4EMEN1
SCHEMBL3931438 0.82 KMT2A (0.43) NNMTKMT2AALDH1A1KDM4EMEN1
SCHEMBL18613637 0.82 KMT2A (0.43) NNMTKMT2AALDH1A1KDM4EMEN1
SCHEMBL3930401 0.82 KMT2A (0.43) NNMTKMT2AALDH1A1KDM4EMEN1
SCHEMBL3785658 0.80 MAPT (0.46) KMT2AALDH1A1KDM4EMEN1MAPT
SCHEMBL3785660 0.80 MAPT (0.46) KMT2AALDH1A1KDM4EMEN1MAPT

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-2018140876-A1 NRF2 ACTIVATOR BIOGEN MA INC. (US) 2018-08-02 WO disclosed