SCHEMBL10714420

SCHEMBL10714420

COc1ccc(-c2cccc3c2NC(=O)C3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.47
▸ TDP2 O95551 2/20 0.46
▸ HDAC4 P56524 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CASP3 P42574 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ CASP9 P55211 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ CASP8 Q14790 1/20 0.42
▸ MAP3K14 Q99558 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ MAP2K1 Q02750 1/20 0.42

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
SCHEMBL10712665 0.81 AHR (0.56) AHRTDP2CASP3CASP7CASP9
SCHEMBL31116938 0.80 AHR (0.60) AHRTDP2CASP3CASP7CASP9
SCHEMBL10714481 0.80 TDP2 (0.53) AHRTDP2CASP3CASP7CASP9
SCHEMBL10711750 0.78 CREBBP (0.53) AHRTDP2MAPTCASP3CASP7
SCHEMBL23143481 0.77 AHR (0.51) AHRTDP2CASP3CASP7CASP9
SCHEMBL6320304 0.77 GSK3B (0.52) HDAC4HDAC2HDAC8MAPTRAB9A
SCHEMBL1317350 0.74 AHR (0.56) AHRTDP2MAPTCASP3CASP7
SCHEMBL10712672 0.73 AHR (0.58) AHRTDP2CASP3CASP7CASP9
SCHEMBL155069 0.71 PDE3B (0.62) AHRTDP2PDE3BPDE3AABCB1
SCHEMBL4019289 0.71 EIF2AK2 (0.63) AHRTDP2MAPTRAB9APDE3B

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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