SCHEMBL8769280

SCHEMBL8769280

CCn1c(OC(C)C)n[nH]c1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
CYP1A2 P05177 1/20 0.34
BTK Q06187 1/20 0.31
LMNA P02545 1/20 0.31
NOTUM Q6P988 2/20 0.30
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL7545362 0.84 CYP1A2 (0.30) TDP1CYP1A2LMNA
SCHEMBL8768659 0.79 KDM4E (0.35) TDP1CYP1A2LMNA
SCHEMBL7991493 0.78 ADORA2A (0.33) CYP1A2BTKLMNANOTUM
SCHEMBL11967282 0.72 TDP1 (0.37) TDP1CYP1A2LMNAGSK3AGSK3B
SCHEMBL14505514 0.69 DHODH (0.35) LMNAGSK3AGSK3B
SCHEMBL7799615 0.69 LMNA (0.35) TDP1BTKLMNA
SCHEMBL3520507 0.69
SCHEMBL8812571 0.68 ALDH1A1 (0.37) TDP1CYP1A2LMNA
SCHEMBL23863066 0.67
SCHEMBL8604420 0.67 KDM4E (0.41) TDP1CYP1A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557907-B 2,4, 5-Trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2024-12-06 CN disclosed
CN-115557907-A 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2023-01-03 CN disclosed
CN-110023302-B 2,4, 5-trisubstituted 1,2, 4-triazolones as DHODH inhibitors 拜耳股份有限公司 2022-07-26 CN disclosed
EP-0703224-B1 Process for the preparation of alkoxytriazolinones BAYER AG (DE) 1997-09-03 EP disclosed
US-5606070-A Process for the preparation of alkoxytriazolinones BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
EP-0703224-A1 Process for the preparation of alkoxytriazolinones BAYER AG (DE) 1996-03-27 EP disclosed