SCHEMBL25046763

SCHEMBL25046763

COc1cccc([C@H]2C[C@@H](n3ccc4c(Cl)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.34
▸ HTR2C P28335 2/20 0.34
▸ HTR2B P41595 2/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ CHKA P35790 1/20 0.31
▸ CHKB Q9Y259 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ SLC9A1 P19634 1/20 0.31

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
SCHEMBL30940833 0.92 — —
SCHEMBL25049291 0.90 ROCK2 (0.32) —
SCHEMBL25049267 0.89 — —
SCHEMBL25049210 0.89 SLC6A4 (0.33) MAPT
SCHEMBL25048421 0.88 — —
SCHEMBL30941508 0.87 ADORA3 (0.32) —
SCHEMBL25048276 0.86 NNMT (0.32) HTR2CHTR2B
SCHEMBL30941065 0.86 — —
SCHEMBL25048303 0.83 HTR2A (0.32) HTR2AHTR2CHTR2BMAPK1GAA
SCHEMBL30940742 0.83 HTR2A (0.32) HTR2AHTR2CHTR2BMAPK1GAA

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
WO-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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