SCHEMBL3454791

SCHEMBL3454791

Cc1cc(-c2c(O)cc[nH]c2=O)sc1C(=O)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ SCD O00767 11/20 0.46
▸ CCR1 P32246 1/20 0.44
▸ CHRM4 P08173 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL3454982 0.89 SCD (0.50) KDM4EALDH1A1HPGDHSD17B10SCD
SCHEMBL3455051 0.85 SCD (0.46) KDM4EALDH1A1HPGDHSD17B10SCD
SCHEMBL3454345 0.83 MMP13 (0.42) KDM4EALDH1A1HPGDHSD17B10SCD
SCHEMBL3454373 0.80 LMNA (0.51) KDM4EALDH1A1HPGDHSD17B10SCD
SCHEMBL3454719 0.80 LMNA (0.51) KDM4EALDH1A1HPGDHSD17B10SCD
SCHEMBL3454995 0.80 SCD (0.58) HPGDSCD
SCHEMBL3454466 0.80 SCD (0.51) KDM4EALDH1A1HPGDHSD17B10SCD
SCHEMBL3455053 0.78 CCR1 (0.47) SCDCCR1CHRM4
SCHEMBL3454788 0.78 SENP5 (0.44) SCDCCR1CHRM4
SCHEMBL3456455 0.77 LMNA (0.47) ALDH1A1HPGDSCDKMT2A

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
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 — — WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 — — WO disclosed
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