SCHEMBL8962468

SCHEMBL8962468

O=C(c1cccc(C(=O)c2cccc([N+](=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.75
CES1 P23141 1/20 0.75
TP53 P04637 1/20 0.72
TSHR P16473 4/20 0.70
ALDH1A1 P00352 3/20 0.70
KMT2A Q03164 4/20 0.65
MEN1 O00255 3/20 0.65
LMNA P02545 1/20 0.61
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
POLB P06746 1/20 0.60
MAPT P10636 1/20 0.60
BLM P54132 1/20 0.60
RXFP1 Q9HBX9 1/20 0.57
ALOX15 P16050 1/20 0.57
TDP2 O95551 2/20 0.56

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
SCHEMBL181572 0.98 CES2 (0.78) CES2CES1TP53TSHRALDH1A1
SCHEMBL11295596 0.94 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
SCHEMBL8962651 0.93 CES2 (0.66) CES2CES1TP53TSHRALDH1A1
SCHEMBL333455 0.92 TP53 (0.73) CES2CES1TP53TSHRALDH1A1
SCHEMBL11593026 0.92 CES2 (0.76) CES2CES1TP53TSHRALDH1A1
Iodide SCHEMBL28290571 0.91 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
Hydrogen Sulfide SCHEMBL27626885 0.91 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
Benzene SCHEMBL28121215 0.91 TP53 (0.71) CES2CES1TP53TSHRALDH1A1
SCHEMBL3234327 0.91 CES2 (0.68) CES2CES1TP53TSHRALDH1A1
Bicarbonate SCHEMBL27282989 0.91 TP53 (0.71) CES2CES1TP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0474501-B1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS (JP) 1996-02-14 EP claimed
EP-0474501-A1 Aromatic diamine compound, preparation process of same and polyimide prepared from same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-03-11 EP claimed
JP-4338367-A None 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
JP-H04338367-A PRODUCTION OF 1,3-BIS(3-AMINOBENZOYL)BENZENE MITSUI TOATSU CHEM INC 1992-11-25 JP 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
US-4352942-A TREATMENT OF ISOMERIC MIXTURE OF NITRO AROMATIC KETO COMPOUNDS WITH OLEUM GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-10-05 US disclosed