SCHEMBL8084735

SCHEMBL8084735

CSc1ccc2c(SCc3ccc(NCCCCO)cc3)ccnc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.35
PRNP P04156 2/20 0.35
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.35
HTR1A P08908 4/20 0.35
ADRA1D P25100 4/20 0.35
ADRA1A P35348 4/20 0.35
ADRA1B P35368 4/20 0.35
SYK P43405 2/20 0.34
CCR1 P32246 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CDK1 P06493 1/20 0.33
FERMT2 Q96AC1 2/20 0.32
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 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
SCHEMBL8084411 0.85 KMT2A (0.37) KMT2APRNPRXFP1POLBHTR1A
SCHEMBL8088305 0.80 PRNP (0.31) KMT2APRNPRXFP1POLB
SCHEMBL8084787 0.78 KMT2A (0.39) ALDH1A1KMT2APRNPRXFP1POLB
SCHEMBL8076742 0.76 QPCT (0.41) ALDH1A1KMT2APRNPRXFP1POLB
SCHEMBL8084914 0.75 KMT2A (0.37) ALDH1A1KMT2APRNPRXFP1POLB
SCHEMBL8089824 0.74 PRNP (0.34) ALDH1A1KMT2APRNPRXFP1POLB
SCHEMBL8088284 0.72 PRNP (0.35) ALDH1A1KMT2APRNPRXFP1POLB
SCHEMBL8088244 0.72 MAPKAPK2 (0.38) ALDH1A1KMT2APRNPRXFP1POLB
SCHEMBL8084777 0.72 PRNP (0.34) KMT2APRNPRXFP1POLBKDM4E
SCHEMBL8084113 0.72 MAPKAPK2 (0.38) ALDH1A1KMT2APRNPRXFP1POLB

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