SCHEMBL8129792

SCHEMBL8129792

O=C(O)CC1CCCc2ccncc2C1=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.42
KDM4C Q9H3R0 10/20 0.41
KDM5A P29375 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
DGAT1 O75907 1/20 0.39
PPARD Q03181 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ACHE P22303 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
SCHEMBL8352315 0.92 CYP19A1 (0.50) CYP19A1DGAT1PPARD
SCHEMBL467521 0.80 ACHE (0.55) CYP19A1DGAT1TP53L3MBTL1SIGMAR1
Bromide SCHEMBL8113723 0.80 CYP19A1 (0.49) CYP19A1DGAT1PPARD
SCHEMBL924439 0.76 CYP19A1 (0.46) CYP19A1PPARD
SCHEMBL21145504 0.73 PPARD (0.48) PPARD
SCHEMBL8535642 0.71 CYP19A1 (0.58) CYP19A1DGAT1TP53SIGMAR1ACHE
SCHEMBL3311293 0.70 HDAC1 (0.46) KDM4CKDM5AKDM5BTP53L3MBTL1
SCHEMBL9737731 0.70 TP53 (0.41) DGAT1TP53L3MBTL1
SCHEMBL21145509 0.70 PPARD (0.51) PPARD
SCHEMBL27999226 0.69 DGAT1 (0.38) CYP19A1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP disclosed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO disclosed