SCHEMBL8962602

SCHEMBL8962602

O=C(c1cccc([N+](=O)[O-])c1)c1ccccc1-c1ccccc1C(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
TP53 P04637 1/20 0.60
ALDH1A1 P00352 4/20 0.58
TSHR P16473 3/20 0.58
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
MITF O75030 1/20 0.51
HSP90AA1 P07900 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL10691910 0.86 CES2 (0.60) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL6632890 0.86 TP53 (0.68) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL10341585 0.86 CES2 (0.60) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL8962605 0.86 ALDH1A1 (0.60) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL30192262 0.84 NPC1 (0.63) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL4254988 0.84 NPC1 (0.63) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL29964351 0.84 TSHR (0.59) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL3571556 0.84 MEN1 (0.63) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL11068069 0.84 TSHR (0.69) SMN1; SMN2CES2CES1TP53ALDH1A1
SCHEMBL11589885 0.84 TSHR (0.59) SMN1; SMN2CES2CES1TP53ALDH1A1

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
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