SCHEMBL22755381

SCHEMBL22755381

Cc1cn(-c2ccc(F)cc2O)c(=O)c2c(C(=O)Nc3ccc(CN4CCOCC4)cc3)cnn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.49
▸ NPC1 O15118 7/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ TP53 P04637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PRKAA2 P54646 1/20 0.43
▸ HIF1A Q16665 2/20 0.42
▸ EPAS1 Q99814 2/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ STAT3 P40763 1/20 0.42
▸ ABL1 P00519 1/20 0.41

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
SCHEMBL22729625 0.79 PDE10A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL29839336 0.79 PDE10A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL22729573 0.78 UGCG (0.51) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL29839311 0.78 UGCG (0.51) RAB9ASMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL22755057 0.77 MAPT (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL22729798 0.72 KMT2A (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL29839342 0.72 KMT2A (0.53) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL29839394 0.71 UGCG (0.49) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22729611 0.71 UGCG (0.49) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL22729465 0.70 MAPT (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1

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-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
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