SCHEMBL9524092

SCHEMBL9524092

O=[N+]([O-])c1cc(C(c2ccccc2)n2cncn2)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 17/20 0.57
CYP26A1 O43174 2/20 0.51
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP11B1 P15538 2/20 0.42
STS P08842 1/20 0.42
TSHR P16473 1/20 0.42
CYP11B2 P19099 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
SCHEMBL11354571 0.94 CYP19A1 (0.50) CYP19A1CYP26A1CYP3A4CYP2C19MEN1
SCHEMBL9523782 0.79 CYP19A1 (0.60) CYP19A1CYP26A1CYP3A4MEN1CYP2D6
SCHEMBL9524317 0.77 MEN1 (0.43) CYP3A4CYP2C19MEN1CYP1A2CYP2D6
SCHEMBL10102444 0.74 CYP19A1 (0.52) CYP19A1MAPTKMT2ACYP11B1
SCHEMBL11361986 0.74 CYP17A1 (0.62) CYP19A1CYP26A1CYP3A4MEN1CYP1A2
SCHEMBL11354525 0.74 CYP19A1 (0.65) CYP19A1CYP26A1CYP3A4CYP2C19CYP11B1
SCHEMBL11353444 0.73 CYP19A1 (0.63) CYP19A1CYP26A1CYP3A4CYP2C19MEN1
SCHEMBL11355092 0.72 CYP19A1 (0.79) CYP19A1CYP26A1CYP3A4CYP2C19CYP11B1
Oxalic Acid SCHEMBL9524691 0.72 MEN1 (0.45) CYP3A4CYP2C19MEN1CYP1A2CYP2D6
Oxalic Acid SCHEMBL10459052 0.72 MEN1 (0.45) CYP3A4CYP2C19MEN1CYP1A2CYP2D6

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
CN-1022184-C Process for preparing (1 H-imidzol-1-ylmethyl) substituted benzotriazole derivatives JANSSEN PHARMACEUTICA NV (BE) 1993-09-22 CN disclosed
EP-0293978-B1 (1H-AZOL-1-YLMETHYL)SUBSTITUTED BENZOTRIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-09-15 EP disclosed
US-5039677-A Estrogen inhibitor JANSSEN PHARMACEUTICA N.V. (CA) 1991-08-13 US disclosed
US-4943574-A AROMATASE INHIBITORS, ESTROGEN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-07-24 US disclosed
CN-88103408-A Process for preparing (1H-oxazol-1-ylmethyl) substituted benzotriazole derivatives 1988-12-14 CN disclosed
EP-0293978-A2 (1H-azol-1-ylmethyl)substituted benzotriazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1988-12-07 EP disclosed