SCHEMBL29005458

SCHEMBL29005458

CC(=O)N(c1cccc(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.40
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
KIF11 P52732 1/20 0.39
ENPP2 Q13822 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
GRIK1 P39086 1/20 0.39
SCN2A Q99250 1/20 0.38
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL29005766 0.85 MEN1 (0.45) ENPP2TRPV1LMNAMEN1MAPT
SCHEMBL30285811 0.85 MEN1 (0.45) ENPP2TRPV1LMNAMEN1MAPT
SCHEMBL29005576 0.84 TP53 (0.42) LMNAMEN1MAPTKMT2ATP53
SCHEMBL30285745 0.83 TP53 (0.47) LMNAMEN1MAPTKMT2ATP53
SCHEMBL30285884 0.83 ALDH1A1 (0.46) ENPP2KEAP1NFE2L2LMNAMEN1
SCHEMBL29005482 0.83 ALDH1A1 (0.46) ENPP2KEAP1NFE2L2LMNAMEN1
SCHEMBL30285430 0.82 TP53 (0.38) HSP90AA1LMNAMEN1MAPTKMT2A
SCHEMBL29005775 0.82 TP53 (0.38) HSP90AA1LMNAMEN1MAPTKMT2A
SCHEMBL30285730 0.82 HTT (0.44) KEAP1NFE2L2TRPV1LMNAMEN1
SCHEMBL30285546 0.81 TSHR (0.42) LMNAMEN1MAPTKMT2AMAPK1

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
CN-115996911-A Substituted N-phenylacetamides having P2X4 receptor antagonistic activity 拜耳公司 2023-04-21 CN disclosed