SCHEMBL6214746

SCHEMBL6214746

CC(C)Cc1c([N+](=O)[O-])cnc2ccccc12.O=[N+]([O-])c1cnc2ccccc2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
FBP1 P09467 1/20 0.40
POLB P06746 1/20 0.39
PIN1 Q13526 6/20 0.38
MAPT P10636 2/20 0.37
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NR1H4 Q96RI1 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
HTT P42858 2/20 0.34
HSP90AA1 P07900 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL4826614 0.92 CYP1A2 (0.47) CYP1A2TSHRFBP1POLBPIN1
SCHEMBL202663 0.84 POLB (0.51) CYP1A2TSHRPOLBPIN1MAPT
SCHEMBL29381779 0.84 POLB (0.51) CYP1A2TSHRPOLBPIN1MAPT
Ammonia Solution, Strong SCHEMBL27736895 0.83 POLB (0.50) CYP1A2TSHRPOLBPIN1MAPT
Hydrochloric Acid SCHEMBL3867195 0.83 POLB (0.50) CYP1A2TSHRPOLBPIN1MAPT
SCHEMBL31197366 0.83 POLB (0.50) CYP1A2TSHRPOLBPIN1MAPT
SCHEMBL15923304 0.80 MAPT (0.40) POLBPIN1MAPTMEN1KMT2A
SCHEMBL15923787 0.79 POLB (0.46) CYP1A2TSHRPOLBPIN1MAPT
SCHEMBL8569400 0.77 TSHR (0.50) CYP1A2TSHRPOLBPIN1MAPT
SCHEMBL15150627 0.74 CYP1A2 (0.50) CYP1A2TSHRPOLBMAPTMEN1

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-1543002-A1 PREPARATION OF 1H-IMIDAZO 4,5-C]QUINOLIN-4-AMINES VIA1H-IMIDAZO 4,5-C]QUINOLIN-4-PHTHALIMIDE INTERMEDIATES BIOGAL GYOGYSZERGYAR RT. (HU) 2005-06-22 EP disclosed
EP-1539752-A1 PREPARATION OF 1H-IMIDAZO 4,5-C QUINOLIN-4-AMINES VIA NOVEL 1H-IMIDAZO 4,5-C QUINOLIN-4-CYANO AND 1H-IMIDA ZO 4,5-C QUINOLIN-4-CARBOXAMIDE INTERMEDIATES BIOGAL GYOGYSZERGYAR RT. (HU) 2005-06-15 EP disclosed
WO-2004011462-A1 PREPARATION OF 1H-IMIDAZO [4,5-C] QUINOLIN-4-AMINES VIA NOVEL 1H-IMIDAZO [4,5-C] QUINOLIN-4-CYANO AND 1H-IMIDAZO [4,5-C] QUINOLIN-4-CARBOXAMIDE INTERMEDIATES BIOGAL GYOGYSZERGYAR RT. (HU) 2004-02-05 WO disclosed
WO-2004009593-A1 PREPARATION OF 1H-IMIDAZO[4,5-C]QUINOLIN-4-AMINES VIA1H-IMIDAZO [4,5-C]QUINOLIN-4-PHTHALIMIDE INTERMEDIATES BIOGAL GYOGYSZERGYAR RT. (HU) 2004-01-29 WO disclosed