SCHEMBL10668048

SCHEMBL10668048

Cc1ccc(N=C2SC(=CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.56
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ ALDH1A1 P00352 6/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MAPT P10636 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ BLM P54132 1/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALOX5 P09917 1/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ S1PR3 Q99500 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL10667719 0.86 FAAH (0.71) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10667710 0.86 FAAH (0.71) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666193 0.83 MEN1 (0.47) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666200 0.83 MEN1 (0.47) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666221 0.83 FAAH (0.52) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666213 0.83 FAAH (0.52) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295530 0.81 FAAH (0.67) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL17295531 0.81 FAAH (0.67) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668970 0.81 AURKA (0.46) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668963 0.81 AURKA (0.46) FAAHMEN1KMT2AALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US claimed
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