SCHEMBL10712554

SCHEMBL10712554

CSC1C(=O)Nc2c(-c3ccccc3[N+](=O)[O-])cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KDM4A O75164 1/20 0.45
▸ TDP2 O95551 1/20 0.45
▸ KDM4C Q9H3R0 1/20 0.45
▸ APOBEC3G Q9HC16 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ S100A4 P26447 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ DNMT3B Q9UBC3 4/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL10714343 0.85 LMNA (0.41) KMT2AMEN1KDM4ATDP2KDM4C
SCHEMBL10712632 0.81 PGR (0.39) KMT2AMEN1TDP1SMN1; SMN2MAPT
SCHEMBL10712211 0.80 KMT2A (0.45) KMT2AMEN1KDM4ATDP2KDM4C
SCHEMBL10711063 0.79 MEN1 (0.42) KMT2AMEN1KDM4ATDP2KDM4C
SCHEMBL10712953 0.79 IDO1 (0.35) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL10712822 0.79 ALDH1A1 (0.40) KMT2AALDH1A1PTPRCPOLBSMN1; SMN2
SCHEMBL10711888 0.78 BRD4 (0.40) ALDH1A1KDM4EMAPTCYP1A2CYP2C9
SCHEMBL10711782 0.77 PGR (0.46) KMT2AMEN1KDM4ATDP2KDM4C
SCHEMBL10711944 0.76 CREBBP (0.46) KMT2AMEN1PTPRCPTPN1KDM4E
SCHEMBL10711674 0.74 MEN1 (0.42) KMT2AMEN1KDM4ATDP2KDM4C

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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