SCHEMBL8962645

SCHEMBL8962645

O=C(c1ccc(-c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.66
CES1 P23141 1/20 0.66
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
TP53 P04637 1/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.62
TDP2 O95551 2/20 0.58
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 2/20 0.53

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
SCHEMBL3234327 0.91 CES2 (0.68) CES2CES1POLBMAPK1TP53
SCHEMBL181572 0.91 CES2 (0.78) CES2CES1POLBTP53MEN1
SCHEMBL8962651 0.90 CES2 (0.66) CES2CES1POLBMAPK1TP53
SCHEMBL333455 0.89 TP53 (0.73) CES2CES1POLBMAPK1TP53
SCHEMBL8962468 0.89 CES2 (0.75) CES2CES1POLBTP53MEN1
SCHEMBL31657792 0.89 POLB (0.73) CES2CES1POLBMAPK1TP53
SCHEMBL11758821 0.88 TP53 (0.77) CES2CES1POLBMAPK1TP53
SCHEMBL9306598 0.88 CES2 (0.64) CES2CES1TP53MEN1KMT2A
SCHEMBL11295596 0.88 TP53 (0.71) CES2CES1POLBMAPK1TP53
Iodide SCHEMBL28290571 0.88 TP53 (0.71) CES2CES1POLBMAPK1TP53

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 8 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-4120047-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-H04120047-A 4,4'-BIS(3-AMINOBENZOYL)BIPHENYL AND PRODUCTION MITSUI TOATSU CHEM INC 1992-04-21 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