SCHEMBL9112992

SCHEMBL9112992

Cc1ccc2c(c1)CSCS2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
EPHX2 P34913 1/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B3 P37058 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP2A6 P11509 2/20 0.31
METAP1 P53582 1/20 0.31
PARP10 Q53GL7 1/20 0.30
PARP11 Q9NR21 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
SCHEMBL17190968 0.83
SCHEMBL3696049 0.72 EPHX2 (0.42) HTTEPHX2MEN1MAPTKMT2A
SCHEMBL21311949 0.72 METAP1 (0.39) EPHX2MAPTTDP1HSD17B3CYP1A2
SCHEMBL928214 0.71 EPHX2 (0.35) HTTEPHX2MEN1MAPTKMT2A
SCHEMBL468939 0.71 CTSL (0.42) EPHX2MEN1MAPTKMT2ACYP1A2
SCHEMBL1120940 0.70 RYR2 (0.41) HTTMEN1MAPTKMT2ATDP1
SCHEMBL402071 0.70 METAP1 (0.42) HTTEPHX2MEN1MAPTKMT2A
SCHEMBL12936026 0.68 HSD17B3 (0.48) HTTEPHX2MEN1MAPTKMT2A
SCHEMBL31414376 0.68 EPHX2 (0.33) HTTEPHX2MEN1MAPTKMT2A
SCHEMBL11339018 0.68 ALDH1A1 (0.38) EPHX2MEN1MAPTKMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875151-B1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS UNIV DARMSTADT TECH (DE) 2023-09-20 EP disclosed
EP-3674757-B1 POLYMERIZABLE LIQUID CRYSTAL MATERIAL, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER, OPTICAL FILM, OPTICAL ANISOTROPIC BODY, POLARIZER, ANTIREFLECTIVE FILM, DISPLAY DEVICE AND METHOD FOR MANUFACTURING POLYMERIZABLE LIQUID CRYSTAL COMPOSITION ZEON CORP (JP) 2022-04-20 EP disclosed
EP-3875151-A1 ALPHA-METHYL-SUBSTITUTED DIAZABICYCLO [4.3.1] DECANE DERIVATES FOR TREATMENT OF PSYCHIATRIC DISORDERS Technische Universität Darmstadt (DE) 2021-09-08 EP disclosed
EP-3097103-B1 DIAZABICYCLO[4.3.1]DECANE DERIVATIVES FOR TREATMENT OF PSYCHIATRIC DISORDERS MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WSS (DE) 2017-11-15 EP disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
EP-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed