SCHEMBL7913293

SCHEMBL7913293

Cc1ccc2cccc(OCc3c(CS)ccc([N+](=O)[O-])c3CS)c2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
ALDH1A1 P00352 2/20 0.51
BDKRB2 P30411 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.47
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 4/20 0.40
LMNA P02545 3/20 0.40
NPC1 O15118 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 1/20 0.40
NFKBIA P25963 1/20 0.39
RELA Q04206 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
SCHEMBL6581449 0.81 MEN1 (0.59) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL4600297 0.80 BDKRB2 (0.60) MEN1KMT2AALDH1A1BDKRB2
SCHEMBL8365809 0.79 KMT2A (0.61) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6578362 0.79 MEN1 (0.59) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6580680 0.78 MEN1 (0.58) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6580688 0.78 ALDH1A1 (0.36) MEN1KMT2AALDH1A1LMNANPC1
SCHEMBL6578497 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6576124 0.77 MEN1 (0.57) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6581282 0.76 MEN1 (0.55) MEN1KMT2AALDH1A1BDKRB2PTGDR2
SCHEMBL6576229 0.76 BDKRB2 (0.54) MEN1KMT2AALDH1A1BDKRB2

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-6211196-B1 8-BENZYLOXY-(TETRAHYDRO)QUINOLINE DERIVATIVES; LIVER CIRRHOSIS, ALZHEIMER*S DISEASE AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-04-03 US disclosed