SCHEMBL10712895

SCHEMBL10712895

CSC1C(=O)Nc2c1cc(-c1ccccc1Br)cc2[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ TDP2 O95551 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ RAB9A P51151 1/20 0.33
▸ PDE7A Q13946 3/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ STAT6 P42226 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PHLPP2 Q6ZVD8 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

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
SCHEMBL10713193 0.85 CRHBP (0.44) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10711518 0.85 MAPK1 (0.34) KMT2AALDH1A1MAPK1CYP1A2MAPT
SCHEMBL10713691 0.79 GSK3B (0.40) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10712554 0.74 KMT2A (0.45) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10711924 0.74 PGR (0.38) ALDH1A1CYP3A4TDP1LMNAMAPT
SCHEMBL10711782 0.74 PGR (0.46) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10712953 0.73 IDO1 (0.35) MEN1KMT2ARAB9AALDH1A1MAPK1
SCHEMBL10715084 0.72 PTGS2 (0.39) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10711063 0.71 MEN1 (0.42) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10711646 0.71 MEN1 (0.38) MEN1KMT2AKDM4ATDP2KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670566-A ANTIIFLAMMATORY AGENTS, ANTICOAGULANTS A. H. ROBINS COMPANY, INCORPORATED (US) 1987-06-02 — — US disclosed
US-4440785-A Methods of using 2-aminobiphenylacetic acids, esters, and metal salts thereof to treat inflammation A. H. ROBINS COMPANY, INC. (US) 1984-04-03 — — US disclosed
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