SCHEMBL7419533

SCHEMBL7419533

C[C@H](Nc1ccc(F)cc1)C(=O)S

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
MMP2 P08253 1/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
LMNA P02545 1/20 0.40
ALOX12 P18054 1/20 0.40
NPC1 O15118 2/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
RAB9A P51151 2/20 0.40
XBP1 P17861 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL233006 0.82 CA12 (0.48) CA12MMP2MEN1KMT2ACYP1A2
SCHEMBL233005 0.82 CA12 (0.48) CA12MMP2MEN1KMT2ACYP1A2
Methane SCHEMBL28130556 0.81 CA12 (0.47) CA12MMP2MEN1KMT2ACYP1A2
SCHEMBL7419725 0.80 TDP1 (0.52) CA12MEN1KMT2AALDH1A1MAPT
SCHEMBL7400936 0.79 TSHR (0.53) CA12MMP2MEN1KMT2ACYP1A2
SCHEMBL28774904 0.79 TSHR (0.53) CA12MMP2MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL7400349 0.78 TSHR (0.51) CA12MMP2MEN1KMT2ACYP1A2
SCHEMBL7373973 0.75 MAPT (0.55) CA12MMP2MEN1KMT2ACYP1A2
SCHEMBL7373970 0.75 MAPT (0.55) CA12MMP2MEN1KMT2ACYP1A2
SCHEMBL4180831 0.74 FPR2 (0.43) CA12MMP2MEN1KMT2ACYP1A2

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