SCHEMBL7392802

SCHEMBL7392802

O=Cc1cc(C(=O)c2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.56
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.48
VCAM1 P19320 2/20 0.46
ATM Q13315 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ERN1 O75460 4/20 0.43
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RAF1 P04049 1/20 0.41
HPGD P15428 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
LTA4H P09960 1/20 0.40

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
SCHEMBL3364760 0.87 MAPK1 (0.64) MAPTMAPK1VCAM1ATMTDP1
SCHEMBL7390018 0.85 ABCC3 (0.56) TTRMAPTLMNAMAPK1VCAM1
SCHEMBL7287497 0.85 MAPT (0.50) TTRMAPTLMNAMAPK1VCAM1
SCHEMBL9583270 0.85 TTR (0.59) TTRMAPTLMNAMAPK1VCAM1
SCHEMBL564611 0.84 ATM (0.60) TTRMAPTLMNAVCAM1ATM
SCHEMBL29547124 0.84 ATM (0.60) TTRMAPTLMNAVCAM1ATM
SCHEMBL8943686 0.82 MAPT (0.64) MAPTLMNAMAPK1ERN1ALDH1A1
SCHEMBL3053729 0.80 CASP6 (0.66) LMNAERN1CASP6
SCHEMBL7288997 0.79 MAPK1 (0.48) MAPTLMNAMAPK1VCAM1ERN1
SCHEMBL7744242 0.79 MAPK1 (0.75) TTRMAPTLMNAMAPK1VCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1041726-C 1.3-Dihydro-2H-Imidazo{4,5-6} Quinolin-2-One derivatives. JANSSEN PHARMACEUTICA NV (BE) 1999-01-20 CN disclosed
US-5521187-A PHOSPHODIESTERASE INHIBITORS, ANTIALLERGENS AND ATOPIC DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-28 US disclosed
US-5516908-A ANTIALLERGENS, ATROPIC DISEASES JANSSEN PHARMACEUTICA N.V. (BE) 1996-05-14 US disclosed
EP-0610372-B1 1,3-DIHYDRO-2H-IMIDAZO(4,5-B)QUINOLIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 1995-12-13 EP disclosed
EP-0610372-A1 1,3-DIHYDRO-2H-IMIDAZO(4,5-B)QUINOLIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS. JANSSEN PHARMACEUTICA NV (BE) 1994-08-17 EP disclosed
WO-1993009118-A1 1,3-DIHYDRO-2H-IMIDAZO(4,5-B)QUINOLIN-2-ONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-13 WO disclosed
EP-0541153-A1 1,3-Dihydro-2H-imidazo[4,5-b]-quinolin-2-one derivatives as phosphodiesterase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 1993-05-12 EP disclosed