SCHEMBL9835657

SCHEMBL9835657

O=C1Cc2cc(F)c([N+](=O)[O-])cc2N1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.46
TDP2 O95551 1/20 0.41
AHR P35869 4/20 0.40
CMA1 P23946 2/20 0.40
ESPL1 Q14674 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EIF2AK2 P19525 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HIF1A Q16665 1/20 0.39
GAA P10253 1/20 0.38
PDK2 Q15119 1/20 0.37
VCAM1 P19320 1/20 0.37
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36
KIF11 P52732 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL31726677 0.94 PGR (0.46) PGRTDP2AHRCMA1ESPL1
SCHEMBL21646065 0.79 KIF11 (0.44) PGRESPL1ATMTDP1KIF11
SCHEMBL30806271 0.79 KIF11 (0.44) PGRESPL1ATMTDP1KIF11
SCHEMBL548762 0.79 AHR (0.50) PGRTDP2AHRCMA1PDE3B
SCHEMBL4507222 0.77 MAPT (0.49) PGRTDP2AHRCMA1PDE3B
SCHEMBL9832978 0.77 PGR (0.46) PGRTDP2AHRCMA1TDP1
SCHEMBL31726573 0.77 AHR (0.47) PGRTDP2AHRCMA1EIF2AK2
SCHEMBL31727303 0.77 MAPT (0.49) PGRTDP2AHRCMA1PDE3B
SCHEMBL5502745 0.77 PGR (0.46) PGRTDP2AHRCMA1TDP1
SCHEMBL8647059 0.77 AHR (0.47) PGRTDP2AHRCMA1EIF2AK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0208510-B1 1-SUBSTITUTED OXINDOLE-3-CARBOXAMINES AS ANTIINFLAMMATORY AND ANALGESIC AGENTS PFIZER INC. (US) 1991-09-11 EP disclosed
US-4791129-A RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-12-13 US disclosed
US-4725616-A ANTIARTHRITIC AGENTS PFIZER INC. (US) 1988-02-16 US disclosed
EP-0208510-A2 1-Substituted oxindole-3-carboxamines as antiinflammatory and analgesic agents PFIZER INC. (US) 1987-01-14 EP disclosed