SCHEMBL8893965

SCHEMBL8893965

CC(C(=O)O)n1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.43
PPARA Q07869 4/20 0.41
TMEM97 Q5BJF2 3/20 0.41
SIGMAR1 Q99720 1/20 0.40
KMO O15229 2/20 0.39
NPY5R Q15761 2/20 0.38
ALDH1A1 P00352 1/20 0.38
BCKDK O14874 1/20 0.37
MCL1 Q07820 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR2 P34972 1/20 0.37
TSHR P16473 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35

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
SCHEMBL14086888 0.83 TMEM97 (0.46) PPARATMEM97SIGMAR1NPY5RCNR2
SCHEMBL8893125 0.83 TSHR (0.51) TMEM97SIGMAR1ALDH1A1TSHR
SCHEMBL10664881 0.79 SLC6A2 (0.50) SIGMAR1ALDH1A1RXFP1SMN1; SMN2TSHR
SCHEMBL11739921 0.76 LMNA (0.45) TMEM97SIGMAR1NPY5RALDH1A1SMN1; SMN2
SCHEMBL14807739 0.75 THRB (0.46) PTGDR2PPARAALDH1A1RXFP1SMN1; SMN2
SCHEMBL14807736 0.75 THRB (0.46) PTGDR2PPARAALDH1A1RXFP1SMN1; SMN2
SCHEMBL14808375 0.75 KARS1 (0.46) PTGDR2ALDH1A1RXFP1SMN1; SMN2CNR2
SCHEMBL14808373 0.75 KARS1 (0.46) PTGDR2ALDH1A1RXFP1SMN1; SMN2CNR2
SCHEMBL10980672 0.73 TMEM97 (0.45) TMEM97SIGMAR1NPY5RALDH1A1
SCHEMBL4199934 0.72 TMEM97 (0.52) TMEM97SIGMAR1

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
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 WO disclosed
US-4049419-A SOYBEAN PLANTS MONSANTO COMPANY (US) 1977-09-20 US disclosed