SCHEMBL9453370

SCHEMBL9453370

Nc1ccc(C=Cc2cc[n+]([O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 1/20 0.57
CASP1 P29466 1/20 0.57
BRCA1 P38398 1/20 0.57
CASP7 P55210 1/20 0.57
HBB P68871 1/20 0.57
CYP19A1 P11511 14/20 0.54
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
APP P05067 2/20 0.52
NQO2 P16083 2/20 0.42
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL7646748 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL11244660 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL65444 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL9680840 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL9680836 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL10459178 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL65443 0.80 CYP19A1 (0.78) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL13208385 0.77 CHAT (0.61) MEN1MAPTKMT2ACYP19A1MAOA
Hydrochloric Acid SCHEMBL866621 0.77 CYP19A1 (0.74) MEN1MAPTKMT2ACYP19A1MAOA
SCHEMBL11260707 0.77 CYP19A1 (0.74) MEN1MAPTKMT2ACYP19A1MAOA

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
US-5239013-A Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-08-24 US disclosed
US-5216084-A Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1993-06-01 US disclosed
EP-0394027-A2 Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-10-24 EP disclosed
US-4952640-A Nonlinear optically active polymers MINNESOTA MINING AND MANUFACTURING CO. (US) 1990-08-28 US disclosed