SCHEMBL6893162

SCHEMBL6893162

CS(=O)(=O)c1cc(N2CCCC2)c2ccc(NCc3cccs3)cc2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.47
ALDH1A1 P00352 10/20 0.47
NPC1 O15118 8/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 9/20 0.46
TSHR P16473 2/20 0.46
GAA P10253 7/20 0.45
ALOX15 P16050 3/20 0.45
CHRNB2 P17787 1/20 0.45
CHRNA4 P43681 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
POLB P06746 2/20 0.43
HPGD P15428 5/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42

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
SCHEMBL5025319 0.85 KDM4E (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6893157 0.74 MEN1 (0.39) KDM4EALDH1A1HTTMAPTGAA
SCHEMBL5024461 0.69 NCF1 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7039779 0.67 FGFR1 (0.36) ALDH1A1ALOX15HSD17B10CYP3A4
SCHEMBL5028716 0.67 NCF1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5024413 0.67 NCF1 (0.50) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL30098967 0.66 L3MBTL1 (0.60) PTGS2L3MBTL1
SCHEMBL5028620 0.66 NCF1 (0.55) SMN1; SMN2HTTHSD17B10MEN1KMT2A
SCHEMBL5024607 0.66 MAPK1 (0.55) ALDH1A1SMN1; SMN2HTTTSHRGAA
SCHEMBL5024554 0.66 NCF1 (0.51) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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
EP-1474145-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 EP claimed
WO-2003066055-A1 QUINOLINE DERIVATIVES AS NPY ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 WO claimed