SCHEMBL29134867

SCHEMBL29134867

OB(O)c1cccc(-n2ccnn2)c1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.63
NOTUM Q6P988 12/20 0.58
ENPP2 Q13822 5/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MGLL Q99685 1/20 0.38

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
SCHEMBL30016360 1.00 KEAP1 (0.63) KEAP1NOTUMENPP2KDM4EALDH1A1
SCHEMBL14961974 0.82 NOTUM (0.75) KEAP1NOTUM
SCHEMBL29134916 0.79 NOTUM (0.58) KEAP1NOTUMENPP2
SCHEMBL552775 0.78 LMNA (0.47) NOTUMENPP2KDM4EALDH1A1MGLL
SCHEMBL21776982 0.77 KEAP1 (1.00) KEAP1NOTUMMGLL
SCHEMBL11410355 0.77 NOTUM (0.64) KEAP1NOTUMALDH1A1
SCHEMBL21152131 0.77 LMNA (0.55) NOTUM
Hydrochloric Acid SCHEMBL31245632 0.76 NOTUM (0.62) KEAP1NOTUMALDH1A1
SCHEMBL670667 0.74 NOTUM (0.65) KEAP1NOTUMALDH1A1MGLL
SCHEMBL3156314 0.74 NOTUM (0.64) KEAP1NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed