SCHEMBL8944156

SCHEMBL8944156

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
LMNA P02545 4/20 0.42
HSP90AA1 P07900 1/20 0.42
TGM2 P21980 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
NPC1 O15118 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
SCHEMBL8944168 1.00 MAPT (0.42) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7389769 0.99 MAPT (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
Hydrochloric Acid SCHEMBL7389775 0.99 MAPT (0.41) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8943367 0.84 MAPT (0.47) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL7392864 0.80 TBXAS1 (0.58)
SCHEMBL7395059 0.80 TBXAS1 (0.58)
SCHEMBL7392867 0.80 TBXAS1 (0.58)
SCHEMBL3750798 0.72 ALDH1A1 (0.54) MAPTALDH1A1CYP1A2CYP2C9LMNA
SCHEMBL3053729 0.72 CASP6 (0.66) LMNA
SCHEMBL29115634 0.70 LMNA (0.57) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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