SCHEMBL29329977

SCHEMBL29329977

COc1ccc(CNc2nc3c(c(Sc4ccc(F)cc4C(F)(F)F)n2)CCN(C(=O)OC(C)(C)C)C3)c(OC)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.45
EPHX2 P34913 1/20 0.42
MKNK1 Q9BUB5 4/20 0.40
MAPT P10636 3/20 0.39
DNMT3A Q9Y6K1 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACHE P22303 1/20 0.36
MGAT2 Q10469 1/20 0.36
DGAT2 Q96PD7 1/20 0.36

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
SCHEMBL29330191 0.82 MKNK1 (0.43) P2RX3MKNK1MAPT
SCHEMBL29329976 0.79 PARP1 (0.42) MKNK1
SCHEMBL29330066 0.77 PARP1 (0.39) MKNK1
SCHEMBL30603339 0.76 MKNK1 (0.47) MKNK1
SCHEMBL29329978 0.75 PDE9A (0.37) CYP1A2CYP3A4ALOX15TSHRCYP2C19
SCHEMBL19358203 0.74 TLR9 (0.46) P2RX3EPHX2MAPTTSHR
SCHEMBL30377840 0.72 MAPT (0.53) P2RX3EPHX2MAPTMEN1KMT2A
SCHEMBL25574585 0.72 MAPT (0.53) P2RX3EPHX2MAPTMEN1KMT2A
SCHEMBL21807841 0.71 DNMT3A (0.47) P2RX3MKNK1MAPTDNMT3ATSHR
SCHEMBL30378278 0.71 P2RX3 (0.51) P2RX3EPHX2MKNK1MAPTCYP1A2

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
EP-4400500-A1 HALOGEN-SUBSTITUTED PYRIDAZINONE COMPOUND AND APPLICATION THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed