SCHEMBL7469819

SCHEMBL7469819

NC(CCc1ccccc1)SC(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.47
ADRB2 P07550 1/20 0.47
KDM4E B2RXH2 1/20 0.44
EPHX1 P07099 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
EPHX2 P34913 1/20 0.44
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
GAA P10253 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL7471080 0.82 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7464419 0.77 TSHR (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7467775 0.76 ANPEP (0.47) NPC1RAB9ASMN1; SMN2HTTANPEP
SCHEMBL15143051 0.76 LTA4H (0.56) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL7476688 0.75 ANPEP (0.46) SMN1; SMN2HTTANPEPERAP1ERAP2
SCHEMBL7465282 0.74 CES1 (0.46) ANPEPERAP1ERAP2METAP2METAP1
SCHEMBL23388167 0.70 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL11643692 0.70 NPC1 (0.50) NPC1RAB9ASMN1; SMN2MAPTHTT
SCHEMBL20715650 0.70 LTA4H (0.58) NPC1RAB9ASMN1; SMN2KDM4EEPHX1
SCHEMBL11403686 0.70 HSD17B10 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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-0287605-A1 AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1988-10-26 EP claimed
WO-1988002363-A1 AMINO-2 ETHANETHIOL DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE M (FR) 1988-04-07 WO claimed