SCHEMBL7950341

SCHEMBL7950341

N#Cc1cc(F)c(N)cc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.42
KHK P50053 1/20 0.39
NOTUM Q6P988 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
GFER P55789 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
PKM P14618 1/20 0.35
APEX1 P27695 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8167910 0.80 KDM4E (0.44) KDM4EHSD17B10KMT2ARXFP1POLB
SCHEMBL19554362 0.79 KEAP1 (0.46) KEAP1NOTUMKDM4EHSD17B10KMT2A
SCHEMBL16411017 0.79 KEAP1 (0.46) KEAP1NOTUMKDM4EHSD17B10KMT2A
SCHEMBL16968396 0.78 KDM4E (0.50) NOTUMKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL24697183 0.77 KHK (0.38) KHKTRPV4
SCHEMBL604580 0.77 KEAP1 (0.50) KEAP1KDM4EHSD17B10KMT2AGFER
SCHEMBL30222084 0.77 KEAP1 (0.50) KEAP1KDM4EHSD17B10KMT2AGFER
SCHEMBL13660126 0.76 KHK (0.48) KHKKDM4EKMT2ATRPV4MEN1
SCHEMBL8300964 0.76 TRPV4 (0.48) KEAP1NOTUMKDM4EHSD17B10TRPV4
SCHEMBL11116363 0.74 KDM4E (0.47) NOTUMKDM4EHSD17B10ALDH1A1HPGD

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
US-6175010-B1 3-amino-1-cyanophenyl-uracils BAYER AKTIENGESELLSCHAFT (DE) 2001-01-16 US disclosed