SCHEMBL8943367

SCHEMBL8943367

O=Cc1cc(C(=O)c2cccnc2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 2/20 0.46
HSP90AA1 P07900 1/20 0.46
TGM2 P21980 1/20 0.46
MAPK1 P28482 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.43
VCAM1 P19320 1/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42

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
SCHEMBL8944168 0.84 MAPT (0.42) MAPTCYP1A2CYP2C9LMNAHSP90AA1
SCHEMBL8944156 0.84 MAPT (0.42) MAPTCYP1A2CYP2C9LMNAHSP90AA1
SCHEMBL3364760 0.84 MAPK1 (0.64) MAPTMAPK1ALDH1A1VCAM1
Hydrochloric Acid SCHEMBL7389775 0.83 MAPT (0.41) MAPTCYP1A2CYP2C9LMNAHSP90AA1
Hydrochloric Acid SCHEMBL7389769 0.83 MAPT (0.41) MAPTCYP1A2CYP2C9LMNAHSP90AA1
SCHEMBL7386856 0.80 LMNA (0.48) MAPTCYP1A2CYP2C9LMNAHSP90AA1
Water SCHEMBL7483553 0.79 ALDH1A1 (0.43) MAPTCYP1A2CYP2C9LMNAHSP90AA1
Water SCHEMBL7483554 0.79 ALDH1A1 (0.43) MAPTCYP1A2CYP2C9LMNAHSP90AA1
SCHEMBL11709876 0.79 VCAM1 (0.70) MAPTCYP1A2CYP2C9LMNAHSP90AA1
SCHEMBL11716099 0.79 LMNA (0.56) MAPTCYP1A2CYP2C9LMNAMAPK1

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 8 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-5541325-A ENZYME INHIBITORS, ANTIALLERGENS JANSSEN PHARMACEUTICA N.V. (BE) 1996-07-30 US 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
CN-1072681-A 1,3-dihydro-2H-imidazo [4,5-b] quinoline-2-one-derivatives JANSSEN PHARMACEUTICA NV (BE) 1993-06-02 CN 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