SCHEMBL14101410

SCHEMBL14101410

C/C=N/c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRB2 P47870 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
HIF1A Q16665 2/20 0.44
FAAH O00519 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GABRB1 P18505 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR2C P28335 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL4948085 1.00 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL14101206 0.88 CYP1A2 (0.39) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL21694954 0.86 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243958 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL243957 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL24835479 0.83 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5588857 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587811 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587855 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587586 0.82 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220032278-A1 ORGANOMETALLIC COMPLEX CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2022-02-03 US disclosed
US-11167278-B2 Organometallic complex catalyst ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2021-11-09 US disclosed
US-11161103-B2 Organometallic complex catalyst NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2021-11-02 US disclosed
EP-3552699-B1 ORGANOMETALLIC COMPLEX CATALYST AIST (JP) 2021-05-19 EP disclosed
EP-3552700-B1 ORGANOMETALLIC COMPLEX CATALYST AIST (JP) 2021-04-28 EP disclosed
US-20200188897-A1 ORGANOMETALLIC COMPLEX CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2020-06-18 US disclosed
EP-3552699-A1 ORGANOMETALLIC COMPLEX CATALYST National Institute of Advanced Industrial Science and Technology (JP) 2019-10-16 EP disclosed
EP-3552700-A1 ORGANOMETALLIC COMPLEX CATALYST National Institute of Advanced Industrial Science and Technology (JP) 2019-10-16 EP disclosed
US-20190308182-A1 ORGANOMETALLIC COMPLEX CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2019-10-10 US disclosed
EP-1577314-B1 Catalyst based on a transition metal complex for polymerization of olefins, and process for polymerization of olefins using the catalyst TOSOH CORP (JP) 2008-08-27 EP disclosed