SCHEMBL13152308

SCHEMBL13152308

CCCCn1c(-c2ccc(NC(=O)NCCC)cc2)c(N)c2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
NAMPT P43490 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
CNR2 P34972 2/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
MTNR1B P49286 2/20 0.40
KDR P35968 1/20 0.40
DYRK1A Q13627 2/20 0.40
PLA2G2A P14555 1/20 0.40
ABCB1 P08183 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PGR P06401 2/20 0.39
RORA P35398 1/20 0.39
RORC P51449 1/20 0.39
RORB Q92753 1/20 0.39

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
SCHEMBL10251176 0.96 HSD17B10 (0.44) HSD17B10PKMNAMPTSMN1; SMN2MAPT
SCHEMBL13152321 0.94 MTNR1B (0.47) HSD17B10PKMNAMPTCNR2KDM4E
SCHEMBL10254338 0.93 PKM (0.44) HSD17B10PKMNAMPTSMN1; SMN2MAPT
SCHEMBL10097494 0.92 MAPT (0.48) HSD17B10MAPTALDH1A1KDM4EHPGD
SCHEMBL10097517 0.88 MAPT (0.50) HSD17B10MAPTALDH1A1KDM4EHPGD
SCHEMBL10252376 0.88 CNR2 (0.41) HSD17B10PKMSMN1; SMN2CNR2ALDH1A1
SCHEMBL13153261 0.88 MTNR1B (0.49) NAMPTSMN1; SMN2MTNR1BKDRDYRK1A
SCHEMBL13151944 0.87 NAMPT (0.46) HSD17B10NAMPTSMN1; SMN2MAPTALDH1A1
SCHEMBL10095908 0.86 HSD17B10 (0.40) HSD17B10PKMNAMPTSMN1; SMN2MAPT
SCHEMBL12108935 0.86 MAPT (0.45) HSD17B10MAPTALDH1A1KDM4EHPGD

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-2010118009-A1 HCV INHIBITOR AND THERAPEUTIC AGENT COMBINATIONS PTC THERAPEUTICS, INC. (US) 2010-10-14 WO disclosed