SCHEMBL10662771

SCHEMBL10662771

O=C(O)C=C1SC(=Nc2ccc(Cl)c(Cl)c2)N(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.54
▸ MEN1 O00255 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ MAPT P10636 3/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR1 P21453 2/20 0.38
▸ S1PR3 Q99500 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARG P37231 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
SCHEMBL10662770 1.00 FAAH (0.54) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668341 0.84 FAAH (0.44) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668343 0.84 FAAH (0.44) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10669210 0.83 PPARG (0.50) MEN1KMT2AALDH1A1MAPTPLA2G1B
SCHEMBL10669207 0.83 PPARG (0.50) MEN1KMT2AALDH1A1MAPTPLA2G1B
SCHEMBL10666221 0.81 FAAH (0.52) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666213 0.81 FAAH (0.52) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10665686 0.81 FAAH (0.42) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10665682 0.81 FAAH (0.42) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668048 0.78 FAAH (0.56) 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 2 patents. 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
US-4775677-A ANTIALLERGNES, ANTIINFLAMMATORY AGENTS, CARDIOVASCULAR DISORDERS WARNER-LAMBERT COMPANY (US) 1988-10-04 — — US disclosed
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