SCHEMBL7467775

SCHEMBL7467775

NC(CCc1ccccc1)SC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.47
ERAP1 Q9NZ08 2/20 0.47
ERAP2 Q6P179 1/20 0.47
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
METAP2 P50579 2/20 0.42
METAP1 P53582 1/20 0.42
NPC1 O15118 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GRIK1 P39086 2/20 0.42
CNR2 P34972 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7476688 0.79 ANPEP (0.46) ANPEPERAP1ERAP2HPGDMEN1
SCHEMBL7465282 0.78 CES1 (0.46) ANPEPERAP1ERAP2METAP2METAP1
SCHEMBL7469819 0.76 NPC1 (0.50) ANPEPERAP1ERAP2MEN1HTT
Hydrochloric Acid SCHEMBL1130842 0.72 ANPEP (0.50) ANPEPERAP1ERAP2HPGDMEN1
SCHEMBL11827382 0.72 MMP12 (0.50) HTTTSHR
SCHEMBL6576344 0.71 CYP1A2 (0.44) ANPEPERAP1ERAP2HPGDMEN1
SCHEMBL6576342 0.71 CYP1A2 (0.44) ANPEPERAP1ERAP2HPGDMEN1
Homophenylalanine SCHEMBL1078733 0.71 ALPI (0.64) ANPEPERAP1ERAP2GRIK1KIF11
Homophenylalanine SCHEMBL44312 0.71 ALPI (0.64) ANPEPERAP1ERAP2GRIK1KIF11
Homophenylalanine SCHEMBL130567 0.71 ALPI (0.64) ANPEPERAP1ERAP2GRIK1KIF11

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 disclosed
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 disclosed