SCHEMBL29005456

SCHEMBL29005456

O=[N+]([O-])c1ccnc(Nc2ccc(F)c(F)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.47
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALOX12 P18054 1/20 0.46
MAPT P10636 3/20 0.45
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK10 P53779 1/20 0.42
PLK1 P53350 1/20 0.41
HIF1A Q16665 1/20 0.41
SOS1 Q07889 1/20 0.40
ALDH3A1 P30838 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
EGFR P00533 1/20 0.39
TNNI3K Q59H18 1/20 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
SCHEMBL30285715 1.00 ROCK1 (0.47) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25371664 0.88 TDO2 (0.51) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25374104 0.88 MEN1 (0.46) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25372501 0.84 ROCK1 (0.43) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25371947 0.84 ABCG2 (0.44) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25371942 0.84 GRM4 (0.44) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25371811 0.84 GRM4 (0.44) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25373733 0.83 GRM4 (0.46) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL29005506 0.82 MEN1 (0.67) ROCK1MEN1KMT2AALOX12MAPT
SCHEMBL25371674 0.81 NPC1 (0.42) ROCK1MEN1KMT2AALOX12MAPT

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 2 patents. 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
CN-115989218-A Use of N-phenylacetamides having P2X4 receptor antagonistic activity for the treatment of certain eye diseases 拜耳公司 2023-04-18 CN disclosed