SCHEMBL10665686

SCHEMBL10665686

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.42
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ BLM P54132 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ S1PR1 P21453 1/20 0.33
▸ S1PR3 Q99500 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32

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
SCHEMBL10665682 1.00 FAAH (0.42) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10662771 0.81 FAAH (0.54) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10666213 0.81 FAAH (0.52) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10662770 0.81 FAAH (0.54) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10667719 0.75 FAAH (0.71) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10667710 0.75 FAAH (0.71) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668341 0.72 FAAH (0.44) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668343 0.72 FAAH (0.44) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL10668963 0.70 AURKA (0.46) FAAHMEN1KMT2AALDH1A1NPSR1
SCHEMBL12297882 0.65 FAAH (0.54) 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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