SCHEMBL9575646

SCHEMBL9575646

COc1ccccc1C(=O)c1ccc(C#N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 3/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
DUSP3 P51452 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSD P07339 1/20 0.45
TP53 P04637 1/20 0.45
LMNA P02545 1/20 0.45
CNR2 P34972 1/20 0.44

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
SCHEMBL9575546 0.84 NPC1 (0.47) STSL3MBTL1RAB9ANPC1GAA
SCHEMBL11524164 0.82 PARP15 (0.42) STSL3MBTL1RAB9AALDH1A1NPC1
SCHEMBL6616664 0.82 MAPT (0.69) STSL3MBTL1RAB9AMAPTALDH1A1
SCHEMBL3484026 0.82 RAB9A (0.66) STSRAB9AMAPTALDH1A1HTT
SCHEMBL50229 0.81 MAPT (0.64) STSRAB9AMAPTALDH1A1HTT
SCHEMBL29573531 0.81 MAPT (0.64) STSRAB9AMAPTALDH1A1HTT
SCHEMBL31286496 0.80 RAB9A (0.67) STSRAB9AMAPTALDH1A1HTT
SCHEMBL1584218 0.80 RAB9A (0.67) STSRAB9AMAPTALDH1A1HTT
SCHEMBL1682193 0.80 STS (0.70) STSRAB9AMAPTALDH1A1HTT
SCHEMBL8439039 0.80 ALDH1A1 (0.64) STSRAB9AMAPTALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed
EP-0367671-A2 Novel beta-D-phenylthioxylosides, their method of preparation and their use as pharmaceuticals FOURNIER INDUSTRIE ET SANTE (FR) 1990-05-09 EP disclosed