SCHEMBL7646423

SCHEMBL7646423

O=C(O)c1n[nH]c(-c2ccc(F)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HAO2 Q9NYQ3 1/20 0.49
MAPK14 Q16539 2/20 0.43
CA12 O43570 2/20 0.42
ALPL P05186 2/20 0.42
RPA1 P27694 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
DHODH Q02127 2/20 0.39
TYMP P19971 1/20 0.38

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
SCHEMBL5255490 0.86 MAPK14 (0.61) HAO2MAPK14
Water SCHEMBL5256024 0.84 MAPK14 (0.59) HAO2MAPK14
SCHEMBL3244761 0.81 CA1 (0.51) CA12MEN1KMT2A
SCHEMBL28180311 0.77 PRKAB2 (0.42) HAO2DHODH
SCHEMBL16197762 0.76 ALPL (0.46) MAPK14CA12ALPLTYMP
SCHEMBL4964605 0.76 HAO2 (0.53) HAO2CA12ALPLRPA1
SCHEMBL4591235 0.74 GYS1 (0.51) HAO2CA12ALPLRPA1MEN1
SCHEMBL27656187 0.72 ALPL (0.43) CA12ALPL
SCHEMBL8637373 0.72 F10 (0.42) CA12
SCHEMBL30078174 0.71 HAO2 (0.55) HAO2CA12ALPLRPA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538142-A 2002-11-12 JP claimed
EP-1154999-A1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX S.A. (FR) 2001-11-21 EP claimed
WO-2000051988-A1 NITROXYDERIVATIVES HAVING ANTIINFLAMMATORY, ANALGESIC AND ANTITHROMBOTIC ACTIVITY NICOX S.A. (FR) 2000-09-08 WO claimed