SCHEMBL8962573

SCHEMBL8962573

Nc1ccc(C(=O)c2ccc(-c3ccc(C(=O)c4ccc(N)cc4)cc3)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.70
CA2 P00918 5/20 0.70
CA9 Q16790 5/20 0.70
CA12 O43570 4/20 0.70
CA14 Q9ULX7 4/20 0.70
TDP1 Q9NUW8 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CYP3A4 P08684 2/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 4/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 3/20 0.50
HTT P42858 2/20 0.50
PKM P14618 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL28027005 1.00 CA1 (0.70) CA1CA2CA9CA12CA14
Benzidine SCHEMBL3414456 0.97 CA1 (0.68) CA1CA2CA9CA12CA14
Benzidine SCHEMBL28203360 0.95 CA1 (0.66) CA1CA2CA9CA12CA14
SCHEMBL204877 0.92 CA12 (0.59) CA1CA2CA9CA12CA14
SCHEMBL9097535 0.92 CA12 (0.59) CA1CA2CA9CA12CA14
SCHEMBL62657 0.92 CA12 (0.59) CA1CA2CA9CA12CA14
SCHEMBL9492773 0.91 MEN1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL20418109 0.91 MEN1 (0.67) CA1CA2CA9CA12CA14
SCHEMBL6653960 0.91 CYP3A4 (0.65) CA1CA2CA9CA12CA14
SCHEMBL12425096 0.91 MEN1 (0.67) CA1CA2CA9CA12CA14

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
JP-8134214-A None JP disclosed
JP-H08134214-A POLYIMIDE AND HEAT-RESISTANT ADHESIVE MADE THEREFROM MITSUI TOATSU CHEM INC 1996-05-28 JP disclosed
EP-0474501-B1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS (JP) 1996-02-14 EP disclosed
US-5322962-A Produce polyimides with high heat and chemical resistance, processability MITSUI TOATSU CHEMICALS, INC. (JP) 1994-06-21 US disclosed
US-5231160-A AROMATIC DIAMINE COMPOUND, PREPARATION PROCESS OF SAME AND POLYIMIDE PREPARED FROM SAME MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-07-27 US disclosed
EP-0474501-A1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP disclosed