SCHEMBL10723714

SCHEMBL10723714

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

nearest known ligand 0.83

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.83
▸ LMNA P02545 1/20 0.80
▸ GAA P10253 1/20 0.80
▸ L3MBTL1 Q9Y468 1/20 0.77
▸ MAPK1 P28482 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ CES1 P23141 2/20 0.74
▸ CA1 P00915 3/20 0.71
▸ CA2 P00918 3/20 0.71
▸ TDP1 Q9NUW8 2/20 0.71
▸ ALDH1A1 P00352 2/20 0.69
▸ MAPT P10636 1/20 0.69
▸ TSHR P16473 1/20 0.68
▸ CA12 O43570 1/20 0.65
▸ CA9 Q16790 1/20 0.65
▸ CA14 Q9ULX7 1/20 0.65
▸ CES2 O00748 1/20 0.63
▸ GSK3B P49841 1/20 0.61

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
SCHEMBL975118 1.00 SRD5A2 (0.83) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL28914440 0.93 MAPK1 (0.85) SRD5A2LMNAGAAL3MBTL1MAPK1
Benzophenone SCHEMBL28231509 0.91 POLB (0.82) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL4249231 0.91 SRD5A2 (1.00) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL229627 0.91 POLB (0.82) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL4686670 0.91 SRD5A2 (0.71) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL1979491 0.89 POLB (0.71) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL9137646 0.89 SRD5A2 (0.69) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL1642912 0.89 SRD5A2 (0.69) SRD5A2LMNAGAAL3MBTL1MAPK1
SCHEMBL9189648 0.89 LMNA (0.72) SRD5A2LMNAGAAL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4687833-A HYDROQUINONE, 4,4'-DIHALO OR DINITRO KETONE, BASE, APROTIC SOLVENT AMOCO CORPORATION (US) 1987-08-18 — — US claimed
EP-0231198-A1 CHAIN-EXTENDED POLY(ARYL ETHER KETONES) AMOCO CORPORATION (US) 1987-08-12 — — EP claimed
WO-1987000539-A1 CHAIN-EXTENDED POLY(ARYL ETHER KETONES) AMOCO CORPORATION (US) 1987-01-29 — — WO claimed
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