SCHEMBL26363085

SCHEMBL26363085

COc1ccc(-c2ccc(=O)n(CC(=O)CNC(C)CCc3ccccc3)n2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ PDE5A O76074 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL23495327 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29436163 0.88 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL29436224 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTTP53NPC1
SCHEMBL23495418 0.81 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPTTP53NPC1
SCHEMBL29436225 0.79 TP53 (0.60) SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL23495355 0.79 TP53 (0.60) SMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL23297214 0.77 PDE4B (0.60) SMN1; SMN2PTGDR2PDE5APDE4BPDE3A
SCHEMBL29776795 0.77 PDE4B (0.60) SMN1; SMN2PTGDR2PDE5APDE4BPDE3A
SCHEMBL23495178 0.76 MAPT (0.49) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL29436219 0.76 MAPT (0.49) MEN1KMT2AALDH1A1MAPTTP53

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-4248972-A2 PYRIDAZINONE COMPOUNDS AND USES THEREOF EDGEWISE THERAPEUTICS, INC. (US) 2023-09-27 — — EP disclosed
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