SCHEMBL4648336

SCHEMBL4648336

O=C(C=CSc1ccccc1)NOCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.50
RAB9A P51151 7/20 0.50
ALDH1A1 P00352 4/20 0.47
LMNA P02545 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
PLIN1 O60240 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
HDAC3 O15379 3/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 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
SCHEMBL29485894 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1MAPTHDAC3
SCHEMBL265422 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1MAPTHDAC3
SCHEMBL4649057 0.77 ALDH1A1 (0.51) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL1568799 0.74 NPC1 (0.59) NPC1RAB9AALDH1A1HDAC3HDAC4
SCHEMBL5692234 0.73 NPC1 (0.50) NPC1RAB9AMAPTHTTHDAC3
SCHEMBL7410536 0.73 NPC1 (0.57) NPC1RAB9AALDH1A1HDAC3HDAC4
SCHEMBL27752011 0.72 NPC1 (0.49) NPC1RAB9AALDH1A1HDAC3HDAC4
SCHEMBL295136 0.71 NPC1 (0.69) NPC1RAB9AALDH1A1HDAC3EPHX2
SCHEMBL1990363 0.71 NPC1 (0.69) NPC1RAB9AALDH1A1HDAC3EPHX2
SCHEMBL20697899 0.71 HCAR2 (0.55) NPC1RAB9AALDH1A1LMNAMAPT

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-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed