SCHEMBL8084113

SCHEMBL8084113

CSc1ccc2c(SCc3ccc(N4CCCCC4)cc3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
CHKA P35790 2/20 0.37
PRKDC P78527 2/20 0.36
HRH4 Q9H3N8 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.34
HTR7 P34969 1/20 0.34
CDK8 P49336 3/20 0.33
CCNC P24863 2/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ELOVL1 Q9BW60 1/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
RAD52 P43351 1/20 0.33
GFER P55789 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8088244 0.99 MAPKAPK2 (0.38) MAPKAPK2CHKAPRKDCHRH4PKM
SCHEMBL8089831 0.90 MAPKAPK2 (0.48) MAPKAPK2CHKAHRH4GAACDK8
SCHEMBL8089999 0.90 SLC2A1 (0.39) MAPKAPK2PRKDCCDK8CCNCALDH1A1
SCHEMBL8088300 0.87 MAPKAPK2 (0.37) MAPKAPK2GAAHTR7KMT2AMEN1
SCHEMBL8084133 0.86 HTR7 (0.37) MAPKAPK2GAAHTR7KMT2AMEN1
SCHEMBL8084787 0.80 KMT2A (0.39) KMT2AMEN1POLBRXFP1ALDH1A1
SCHEMBL8076742 0.78 QPCT (0.41) CHKAGAAKMT2APOLBRXFP1
SCHEMBL8084411 0.76 KMT2A (0.37) MAPKAPK2KMT2AMEN1POLBRXFP1
SCHEMBL8089824 0.76 PRNP (0.34) KMT2AMEN1POLBRXFP1ALDH1A1
SCHEMBL8084729 0.76 SMN1; SMN2 (0.40) GAAKMT2AMEN1POLBRXFP1

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