SCHEMBL18508629

SCHEMBL18508629

CCc1cc(C)ccc1SC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
SLC6A4 P31645 4/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36

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
SCHEMBL575848 0.84 NPC1 (0.44) MAPTMEN1KMT2ALMNATP53
SCHEMBL19719755 0.84 MAPT (0.40) MAPTMEN1KMT2ALMNATP53
SCHEMBL576144 0.84 SLC6A4 (0.47) MAPTMEN1KMT2ALMNATP53
SCHEMBL11064216 0.81 ALOX15 (0.42) MAPTMEN1KMT2ALMNATP53
SCHEMBL21205123 0.81 MAPT (0.36) MAPTMEN1KMT2ALMNATP53
Hydrochloric Acid SCHEMBL1013629 0.79 SLC6A4 (0.47) MAPTMEN1KMT2ALMNATP53
SCHEMBL12736249 0.79 SLC6A4 (0.35) MAPTMEN1KMT2ALMNATP53
SCHEMBL12736251 0.78 SLC6A4 (0.36) MAPTMEN1KMT2ALMNATP53
SCHEMBL13668477 0.78 PDE3B (0.36) MAPTMEN1KMT2ALMNATP53
SCHEMBL25457334 0.77 DDR1 (0.45) MAPTMEN1KMT2ALMNARAB9A

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-3150587-B1 DEUTERIUM SUBSTITUTED 1-[2-(2,4-DIMETHYL-THIOPHENYL)-PHENYL]PIPERAZINE COMPOUND OR DERIVATIVE THEREOF, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF JIANGSU JIBEIER PHARMACEUTICAL CO LTD (CN) 2020-11-11 EP disclosed
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed