SCHEMBL10711940

SCHEMBL10711940

CSC1C(=O)Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c(-c3ccccc3)c21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4A O75164 1/20 0.40
▸ TDP2 O95551 1/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ FASN P49327 1/20 0.34
▸ TDP1 Q9NUW8 3/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GPR68 Q15743 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADH5 P11766 3/20 0.33
▸ TACR3 P29371 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ FBP1 P09467 1/20 0.33

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 0.79 CRHBP (0.44) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10921967 0.74 HTT (0.33) MEN1KMT2AMAPTGAA
SCHEMBL10715084 0.71 PTGS2 (0.39) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL116974 0.70 MEN1 (0.39) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10712895 0.70 MEN1 (0.38) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL11427524 0.70 KMT2A (0.47) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10711141 0.68 CYP3A4 (0.38) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10713691 0.68 GSK3B (0.40) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10712554 0.68 KMT2A (0.45) MEN1KMT2AKDM4ATDP2KDM4C
SCHEMBL10712211 0.68 KMT2A (0.45) 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 5 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
EP-0089426-B1 2-AMINO-6-BIPHENYLACETIC ACIDS A.H. ROBINS COMPANY, INCORPORATED (US) 1986-06-11 — — EP 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
EP-0089426-A1 2-Amino-6-biphenylacetic acids A.H. ROBINS COMPANY, INCORPORATED (US) 1983-09-28 — — EP disclosed
US-4333951-A MUSCLE RELAXANTS, ANTIINFLAMMATORY AGENTS A. H. ROBINS COMPANY, INC. (US) 1982-06-08 — — US disclosed
Send feedback