SCHEMBL9558304

SCHEMBL9558304

O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.78
▸ SRD5A2 P31213 2/20 0.70
▸ MEN1 O00255 3/20 0.60
▸ KMT2A Q03164 3/20 0.60
▸ CES1 P23141 2/20 0.57
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ CES2 O00748 1/20 0.55
▸ MAPK1 P28482 3/20 0.54
▸ TSHR P16473 2/20 0.54
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAPT P10636 1/20 0.54
▸ PHLPP2 Q6ZVD8 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ ALDH1A1 P00352 1/20 0.53
▸ POLB P06746 1/20 0.50
▸ GSK3B P49841 1/20 0.49
▸ TP53 P04637 1/20 0.49

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
4-Nitrobenzoic Acid SCHEMBL43476 0.88 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
Terephthalic Acid SCHEMBL28023943 0.88 TDP1 (1.00) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL10439552 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332069 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL17332086 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL10720762 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL9316553 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL8025368 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL321099 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1
4-Nitrobenzoic Acid SCHEMBL1566327 0.86 TDP1 (0.95) TDP1SRD5A2MEN1KMT2ACES1

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
EP-0332425-B1 PROCESS FOR REFINING 1,3-DIMETHYL-2-IMIDAZOLIDINONE AND A PROCESS FOR PREPARING AN AROMATIC POLYAMIDE BY USE OF THE REFINED PRODUCT MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 — — EP disclosed
US-5075406-A Solution polymerization of polyamides in solvent purified by adsorption on magnesia, alumina, silica or mixed oxides MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-24 — — US disclosed
US-5011936-A Using composite salt consisting of at least two of silica, magnesia and alumina MITSUI TOATSU CHEMICALS, INC. (JP) 1991-04-30 — — US disclosed
US-4923951-A DIISOCYANTE, ALKALI OR ALKALINE EARTH METAL CATALYST MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1990-05-08 — — US disclosed
EP-0332425-A1 Process for refining 1,3-dimethyl-2-imidazolidinone and a process for preparing an aromatic polyamide by use of the refined product MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-09-13 — — EP disclosed
EP-0328342-A2 Process for producing aromatic polyamides MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-16 — — EP disclosed
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