SCHEMBL7419725

SCHEMBL7419725

C[C@H](Nc1ccccc1)C(=O)S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
GAA P10253 4/20 0.46
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.45
TSHR P16473 3/20 0.45
CYP3A4 P08684 2/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
RECQL P46063 1/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
NAPRT Q6XQN6 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL1331551 0.83 TDP1 (0.56) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL33928 0.83 TDP1 (0.56) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL33927 0.83 TDP1 (0.56) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL1531678 0.83 TDP1 (0.56) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL1330911 0.83 TDP1 (0.56) TDP1GAAHSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10424136 0.81 TDP1 (0.54) TDP1GAAHSD17B10ALDH1A1TSHR
Hydrochloric Acid SCHEMBL10445714 0.81 TDP1 (0.54) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL7251351 0.81 TDP1 (0.54) TDP1GAAHSD17B10ALDH1A1TSHR
Methane SCHEMBL6442579 0.81 TDP1 (0.54) TDP1GAAHSD17B10ALDH1A1TSHR
SCHEMBL13020267 0.81 TDP1 (0.54) TDP1GAAHSD17B10ALDH1A1TSHR

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