SCHEMBL8084787

SCHEMBL8084787

CSc1ccc2c(SCc3ccc(N)cc3)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PRNP P04156 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.34
CDC7 O00311 1/20 0.33
DBF4 Q9UBU7 1/20 0.33
SCN9A Q15858 1/20 0.32
HSP90AA1 P07900 2/20 0.32
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
SYK P43405 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL8076742 0.85 QPCT (0.41) KMT2AALDH1A1PRNPRXFP1KDM4E
SCHEMBL8089824 0.83 PRNP (0.34) KMT2ARAB9AMEN1NPC1ALDH1A1
SCHEMBL8084411 0.83 KMT2A (0.37) KMT2ARAB9AMEN1NPC1PRNP
SCHEMBL8088244 0.81 MAPKAPK2 (0.38) KMT2AMEN1ALDH1A1PRNPRXFP1
SCHEMBL8084777 0.81 PRNP (0.34) KMT2APRNPRXFP1KDM4EPOLB
SCHEMBL8084113 0.80 MAPKAPK2 (0.38) KMT2AMEN1ALDH1A1PRNPRXFP1
SCHEMBL8076750 0.80 BACE1 (0.39) KMT2APRNPRXFP1KDM4EPOLB
SCHEMBL8089999 0.79 SLC2A1 (0.39) ALDH1A1
SCHEMBL8089831 0.79 MAPKAPK2 (0.48) KMT2AMEN1KDM4E
SCHEMBL8088284 0.79 PRNP (0.35) KMT2AALDH1A1PRNPRXFP1KDM4E

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-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed