SCHEMBL20350866

SCHEMBL20350866

N#Cc1c(SC/C(=N/N)NN)[nH]c(=O)c(F)c1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL20350871 0.88 KDM4E (0.38) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20350882 0.88 KDM4E (0.38) KDM4ETSHRALDH1A1MAPTHSD11B1
SCHEMBL20350843 0.84 KDM4E (0.40) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20340015 0.80 KDM4E (0.58) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20340100 0.78 CYP1A2 (0.47) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20350847 0.78 KDM4E (0.66) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20339960 0.76 KDM4E (0.38) KDM4EALDH1A1MAPTHTTHSD11B1
SCHEMBL20350844 0.72 KDM4E (0.39) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20340035 0.70 KDM4E (0.61) KDM4ETSHRALDH1A1MAPTHTT
SCHEMBL20340131 0.68 CYP1A2 (0.49) KDM4ETSHRALDH1A1MAPTHTT

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-2018125983-A1 OXOPYRIDINE DERIVATIVES USEFUL AS AMINOCARBOXYMUCONATE SEMIALDEHYDE DECARBOXYLASE (ACMSD) INHIBITORS MITOBRIDGE, INC. (US) 2018-07-05 — — WO disclosed
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