SCHEMBL9770356

SCHEMBL9770356

COc1ccc(SCCOc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
MAPK1 P28482 2/20 0.63
NPSR1 Q6W5P4 2/20 0.63
TP53 P04637 1/20 0.63
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 1/20 0.56
GAA P10253 1/20 0.55
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL10598373 0.95 RAB9A (0.65) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL10345794 0.92 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL10345453 0.89 MAPK1 (0.55) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL9768860 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL10345795 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL10345911 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL10346037 0.86 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL9808023 0.85 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2MAPK1TP53
SCHEMBL5824912 0.84 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPK1NPSR1
SCHEMBL9808032 0.84 DRD2 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4985393-A Bis/hydroxyphenylthio/ Compounds KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1991-01-15 US disclosed
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed
EP-0373561-A2 Heat sensitive recording material KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-06-20 EP disclosed
US-4835133-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-30 US disclosed