SCHEMBL22115997

SCHEMBL22115997

Cc1ccc(CC(CON2C(=O)c3ccccc3C2=O)NC(=O)c2cc(Cl)nnc2Oc2cccc(C(F)(F)F)c2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
P2RY1 P47900 1/20 0.36
CCR2 P41597 13/20 0.35
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL30308961 1.00 PTGER4 (0.40) PTGER4P2RY1CCR2RAB9AMEN1
SCHEMBL29006551 0.88 PTGER4 (0.38) PTGER4P2RY1CCR2RAB9A
SCHEMBL30254743 0.88 PTGER4 (0.38) PTGER4P2RY1CCR2RAB9A
SCHEMBL22116047 0.87 PTGER4 (0.42) PTGER4P2RY1CCR2RAB9AMEN1
SCHEMBL30308953 0.87 PTGER4 (0.42) PTGER4P2RY1CCR2RAB9AMEN1
SCHEMBL22116017 0.86 PTGER4 (0.43) PTGER4P2RY1CCR2RAB9AMEN1
SCHEMBL30308995 0.86 PTGER4 (0.43) PTGER4P2RY1CCR2RAB9AMEN1
SCHEMBL28654108 0.85 PTGER4 (0.40) PTGER4P2RY1CCR2
SCHEMBL29047938 0.85 PTGER4 (0.37) PTGER4RAB9AHTTSMN1; SMN2
SCHEMBL30284402 0.85 PTGER4 (0.37) PTGER4RAB9AHTTSMN1; SMN2

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-3898620-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS Bayer Aktiengesellschaft (DE) 2021-10-27 EP disclosed
WO-2020127780-A1 HETEROCYCLYL PYRIDAZINE AS FUNGICIDAL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 2020-06-25 WO disclosed