SCHEMBL8763196

SCHEMBL8763196

O=CNCc1ccc(CNC=O)cc1

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.76
ADH1C P00326 1/20 0.76
ADH1A P07327 1/20 0.76
ADH7 P40394 1/20 0.76
ALOX5 P09917 1/20 0.39
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 2/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 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
SCHEMBL8763263 0.92 ADH1B (0.67) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL1486309 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL3306571 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL26832960 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL5221625 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL513192 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7ALOX5
SCHEMBL17503962 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7
SCHEMBL4633463 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL43651 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL349260 0.88 ADH1B (0.61) ADH1BADH1CADH1AADH7KMT2A

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
WO-2023230541-A1 PIPERAZINE DERIVATIVES USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2023-11-30 WO disclosed
EP-0349195-B1 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC (US) 1997-05-21 EP disclosed
US-5444135-A Polymerization and functionalization with nitrogen-containing functional groups occur simultaneously EXXON CHEMICAL PATENTS INC. (US) 1995-08-22 US disclosed
EP-0492145-B1 Process for producing xylylene diisocyanate MITSUBISHI GAS CHEMICAL CO (JP) 1995-02-01 EP disclosed
US-5336745-A Terminally-substituted polymeric compositions from cationically polymerizable monomers and initiators EXXON CHEMICAL PATENTS INC. (US) 1994-08-09 US disclosed
US-5196572-A Thermal decomposition of xylylene dicarbamate with tin and/or antimony containing catalyst MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-03-23 US disclosed
EP-0492145-A2 Process for producing xylylene diisocyanate MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1992-07-01 EP disclosed
US-5032653-A Catalysts EXXON CHEMICAL PATENTS, INC. (US) 1991-07-16 US disclosed
EP-0349195-A2 Direct synthesis by cationic polymerization of nitrogen-containing polymers EXXON CHEMICAL PATENTS INC. (US) 1990-01-03 EP disclosed