SCHEMBL30308995

SCHEMBL30308995

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.43
P2RY1 P47900 3/20 0.39
RAB9A P51151 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C9 P11712 1/20 0.37
RECQL P46063 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
KDM4E B2RXH2 3/20 0.37
CCR2 P41597 7/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
EGFR P00533 1/20 0.35

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
SCHEMBL22116017 1.00 PTGER4 (0.43) PTGER4P2RY1RAB9ACYP1A2CYP2C19
SCHEMBL30308953 0.91 PTGER4 (0.42) PTGER4P2RY1RAB9ACYP1A2CYP2C19
SCHEMBL22116047 0.91 PTGER4 (0.42) PTGER4P2RY1RAB9ACYP1A2CYP2C19
SCHEMBL22116206 0.89 P2RY1 (0.34) PTGER4P2RY1RAB9ACYP1A2CYP2C19
SCHEMBL22116201 0.89 P2RY1 (0.34) PTGER4P2RY1RAB9ACYP1A2CYP2C19
SCHEMBL22115997 0.86 PTGER4 (0.40) PTGER4P2RY1RAB9AMEN1KMT2A
SCHEMBL30308961 0.86 PTGER4 (0.40) PTGER4P2RY1RAB9AMEN1KMT2A
SCHEMBL27220793 0.83 PPARG (0.45) PTGER4P2RY1RAB9ACYP1A2CYP2C19
SCHEMBL30997351 0.83 PTGER4 (0.40) PTGER4P2RY1RAB9AMEN1KMT2A
SCHEMBL28654108 0.82 PTGER4 (0.40) PTGER4P2RY1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080765-A As fungicidal compounds heterocyclic pyridazines of the compounds 拜耳公司 2024-12-06 CN disclosed
CN-113454079-B Heterocyclylpyridazines as fungicidal compounds 拜耳公司 2024-07-26 CN disclosed
EP-4167740-A1 ACTIVE COMPOUND COMBINATIONS Bayer Aktiengesellschaft (DE) 2023-04-26 EP disclosed
CN-115955916-A Active compound combinations 拜耳公司 2023-04-11 CN disclosed