SCHEMBL7440382

SCHEMBL7440382

CC(C)Cc1c[nH]c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
TSHR P16473 2/20 0.41
ATAD2 Q6PL18 1/20 0.40
PARP1 P09874 1/20 0.37
DPYD Q12882 4/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP19A1 P11511 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
HTT P42858 1/20 0.35
HBB P68871 1/20 0.35
PMP22 Q01453 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SLC22A4 Q9H015 1/20 0.33
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL7133034 0.75 ATAD2 (0.47) ATAD2DPYDGAA
SCHEMBL7436725 0.75
SCHEMBL10130747 0.72 GPR84 (0.50) DAOTSHRPARP1MAPTALDH1A1
SCHEMBL29181215 0.72 LMNA (0.36) ATAD2DPYDMAPTGAALMNA
SCHEMBL8080747 0.72 MAPT (0.35) TSHRATAD2DPYDMAPTGAA
SCHEMBL7036571 0.71
SCHEMBL11174806 0.70 ATAD2 (0.40) TSHRATAD2DPYDMAPTGAA
SCHEMBL20822090 0.70
Hydrochloric Acid SCHEMBL30716696 0.68 DPYD (0.38) TSHRATAD2DPYDMAPTGAA
SCHEMBL7371567 0.67 GPR84 (0.58) KMT2AGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
US-4405628-A 4-Pyridylimidazolones and method of use MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
EP-0059948-A1 Novel aroylimidazolones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-09-15 EP disclosed