SCHEMBL5814733

SCHEMBL5814733

O=[C]CC1Sc2ccccc2NC1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.61
GLA P06280 1/20 0.61
HTT P42858 1/20 0.56
TSHR P16473 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
USP2 O75604 1/20 0.47
ESR1 P03372 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
PTPN7 P35236 1/20 0.47
RECQL P46063 1/20 0.47
ESR2 Q92731 1/20 0.47

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
SCHEMBL5671626 0.80 HSD17B10 (0.65) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL10735538 0.80 HSD17B10 (0.69) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL10729385 0.80 HSD17B10 (0.65) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL10730206 0.79 HSD17B10 (0.63) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL3627843 0.77 HSD17B10 (0.66) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL10734727 0.77 HSD17B10 (0.66) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL10730320 0.77 HSD17B10 (0.61) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL5671154 0.77 HSD17B10 (0.61) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL4328755 0.76 HSD17B10 (1.00) HSD17B10GLAHTTTSHRSMN1; SMN2
SCHEMBL5814643 0.76 LMNA (0.55) HSD17B10GLAHTTSMN1; SMN2KMT2A

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 WO disclosed