SCHEMBL19554362

SCHEMBL19554362

N#Cc1cc(N)c(C(=O)O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.46
IDO1 P14902 1/20 0.42
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
GFER P55789 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
MCL1 Q07820 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL16411017 0.93 KEAP1 (0.46) KEAP1IDO1KDM4EKMT2ATRPV4
SCHEMBL8300964 0.83 TRPV4 (0.48) KEAP1KDM4ETRPV4HSD17B10NFE2L2
SCHEMBL14720088 0.79 TRPV4 (0.44) KDM4ETRPV4HSD17B10NOTUM
SCHEMBL31171409 0.79 TRPV4 (0.44) KDM4ETRPV4HSD17B10NOTUM
Nitrogen SCHEMBL28658127 0.79 KEAP1 (0.53) KEAP1IDO1KDM4EKMT2AGFER
SCHEMBL7950341 0.79 KEAP1 (0.42) KEAP1KDM4EKMT2ATRPV4GFER
SCHEMBL8304252 0.79 KEAP1 (0.44) KEAP1KDM4ETRPV4POLBAPEX1
SCHEMBL222733 0.78 KEAP1 (0.57) KEAP1IDO1KDM4EKMT2AGFER
SCHEMBL2314240 0.76 TRPV4 (0.52) KDM4EKMT2ATRPV4MAPTMEN1
SCHEMBL22636961 0.75 GAA (0.41) KDM4EKMT2ATRPV4GFERMAPT

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-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed