SCHEMBL21318890

SCHEMBL21318890

CC(=S)c1ccc2c(c1)CC(C)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 4/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B1 P14061 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA12 O43570 2/20 0.31
CA7 P43166 2/20 0.31
CA14 Q9ULX7 2/20 0.31
GAA P10253 1/20 0.30
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL19456082 0.81 PDE4D (0.37) MAPTNPC1RAB9AHPGDTDP1
SCHEMBL16526954 0.78 NPC1 (0.32) MAPTNPC1RAB9A
SCHEMBL23519468 0.73 HDAC8 (0.47) MAPTHPGDALDH1A1
SCHEMBL16716449 0.73 CHRNB2 (0.51) MAPTNPC1RAB9AHPGDTDP1
SCHEMBL26317429 0.73 HPGD (0.39) MAPTNPC1RAB9AHPGDTDP1
SCHEMBL16527137 0.72 ALDH1A1 (0.52) MAPTNPC1RAB9AHPGDTDP1
SCHEMBL15927445 0.72 GSK3B (0.46) MAPTNPC1RAB9ATDP1GAA
SCHEMBL25367450 0.72 MAPT (0.33) MAPTNPC1RAB9AHPGDTDP1
SCHEMBL13799411 0.71 DRD2 (0.50) MAPTNPC1RAB9AHPGDALDH1A1
SCHEMBL16526961 0.71 ALDH1A1 (0.50) MAPTNPC1RAB9AHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3247693-B1 PROCESS FOR THE PREPARATION OF INDANAMINE DERIVATIVES AND NEW SYNTHESIS INTERMEDIATES OLON SPA (IT) 2019-09-04 EP disclosed