SCHEMBL23775714

SCHEMBL23775714

CC(C)c1ccc2c(c1)SC(C(C)C)C(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HSD11B1 P28845 2/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 3/20 0.36
TDP1 Q9NUW8 3/20 0.36
KDM4E B2RXH2 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 4/20 0.35
GFER P55789 1/20 0.35
POLB P06746 2/20 0.35
MDM2 Q00987 2/20 0.34
TP53 P04637 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL23775752 0.83 SMN1; SMN2 (0.48) MAPTHPGDKMT2ASMN1; SMN2HTT
SCHEMBL4969852 0.79 MAPT (0.51) MAPTHSD11B1ALDH1A1HPGDGAA
SCHEMBL25920373 0.72 POLB (0.53) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28470729 0.71 SNCA (0.50) MAPTHPGDGAAMEN1KMT2A
SCHEMBL30467250 0.71 SNCA (0.50) MAPTHPGDGAAMEN1KMT2A
SCHEMBL24124669 0.71 POLB (0.70) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL15586614 0.70 EPHX2 (0.63) ALDH1A1HPGDHTTHSD17B10GFER
SCHEMBL17807750 0.70 MAOB (0.47) MAPTHPGDMEN1KMT2ASMN1; SMN2
SCHEMBL14804455 0.69 GAA (0.33) ALDH1A1HPGDGAASMN1; SMN2HTT
SCHEMBL20251044 0.68 PGR (0.50) MAPTALDH1A1HPGDMEN1KMT2A

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
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 WO disclosed