SCHEMBL21254482

SCHEMBL21254482

CN/C(C)=C(\C=N)C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPC1 O15118 5/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MCHR1 Q99705 2/20 0.38
▸ MCL1 Q07820 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ WDR91 A4D1P6 1/20 0.37
▸ USP2 O75604 2/20 0.37
▸ TNIK Q9UKE5 1/20 0.37
▸ MAPK1 P28482 3/20 0.37

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
SCHEMBL21254666 0.90 MAPT (0.40) MAPTATMNPC1RAB9AKMT2A
SCHEMBL21254703 0.90 MAPT (0.45) MAPTATMNPC1RAB9AKMT2A
SCHEMBL21254471 0.86 MAPT (0.38) MAPTATMNPC1RAB9AKMT2A
SCHEMBL1667332 0.85 MAPT (0.48) MAPTATMNPC1RAB9AKMT2A
SCHEMBL21254620 0.84 MAPT (0.39) MAPTATMNPC1RAB9AKMT2A
SCHEMBL21254900 0.83 MAPT (0.45) MAPTATMNPC1RAB9AKMT2A
SCHEMBL21254752 0.82 WDR91 (0.43) MAPTATMNPC1RAB9AKMT2A
SCHEMBL21254622 0.80 WDR91 (0.43) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL1665731 0.79 LMNA (0.43) MAPTATMNPC1RAB9AKMT2A
SCHEMBL1664811 0.79 LMNA (0.43) MAPTATMNPC1RAB9AKMT2A

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-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 — — EP disclosed
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