SCHEMBL10666200

SCHEMBL10666200

O=C(O)C=C1SC(=Nc2ccc([N+](=O)[O-])cc2)N(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ FAAH O00519 4/20 0.46
▸ CA9 Q16790 2/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PTPN12 Q05209 1/20 0.41
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ DUSP22 Q9NRW4 1/20 0.39

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
SCHEMBL10666193 1.00 MEN1 (0.47) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10667719 0.80 FAAH (0.71) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10667710 0.80 FAAH (0.71) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10668963 0.75 AURKA (0.46) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10662770 0.74 FAAH (0.54) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10665682 0.74 FAAH (0.42) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10666221 0.74 FAAH (0.52) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL10665686 0.74 FAAH (0.42) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL31310299 0.74 CA2 (0.61) MEN1KMT2AALDH1A1NPSR1FAAH
SCHEMBL11332122 0.71 KMT2A (0.59) MEN1KMT2AALDH1A1NPSR1FAAH

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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