SCHEMBL9700833

SCHEMBL9700833

CCCCC(C(=O)OCC)C1=NCCc2cc(SC)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ALOX5 P09917 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM4 P08173 1/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ PPARG P37231 1/20 0.30
▸ PPARA Q07869 1/20 0.30
▸ CA1 P00915 1/20 0.30

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
SCHEMBL9701583 0.80 KDM4E (0.47) KDM4ENPSR1ALDH1A1MAPK1MAPT
SCHEMBL9701989 0.66 CHRM2 (0.39) KDM4ELMNAALOX5CHRM2CHRM4
Hydrochloric Acid SCHEMBL9702735 0.65 CHRM2 (0.38) KDM4ELMNAALOX5CHRM2CHRM4
SCHEMBL11450020 0.62 CYP3A4 (0.47) L3MBTL1ALDH1A1MAPK1MAPTMEN1
SCHEMBL6780635 0.61 LMNA (0.39) KDM4ELMNASMN1; SMN2CHRM2CHRM4
SCHEMBL4206097 0.61 MMP8 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ACA2
SCHEMBL6204523 0.61 MEN1 (0.49) ALOX5SMN1; SMN2L3MBTL1ALDH1A1MAPK1
SCHEMBL23218354 0.60 LMNA (0.47) KDM4ELMNASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10410232 0.60 ESR1 (0.46) LMNASMN1; SMN2ALDH1A1MAPK1CHRM1
SCHEMBL1767974 0.59 LMNA (0.47) KDM4ELMNASMN1; SMN2L3MBTL1ALDH1A1

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
WO-1992014465-A1 USE OF ANNULATED TETRAHYDROPYRIDINACETIC ACID DERIVATES FOR TREATING NEUROLOGICAL DISEASES BOEHRINGER INGELHEIM KG (DE) 1992-09-03 — — WO disclosed
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