SCHEMBL21254462

SCHEMBL21254462

CN/C=C(\C(C)=N)C(=O)Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.45
▸ ATM Q13315 1/20 0.45
▸ RAB9A P51151 9/20 0.44
▸ NPC1 O15118 8/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MCHR1 Q99705 2/20 0.43
▸ TP53 P04637 3/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ PKM P14618 1/20 0.43
▸ USP2 O75604 2/20 0.42

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
SCHEMBL21254918 0.90 MAPT (0.40) MAPTATMRAB9ANPC1KMT2A
SCHEMBL21254620 0.90 MAPT (0.39) MAPTATMRAB9ANPC1KMT2A
SCHEMBL21254590 0.82 MAPT (0.49) MAPTATMRAB9ANPC1KMT2A
SCHEMBL8769706 0.82 RAB9A (0.58) MAPTATMRAB9ANPC1KMT2A
SCHEMBL21254928 0.81 RAB9A (0.55) MAPTATMRAB9ANPC1KMT2A
SCHEMBL21254703 0.81 MAPT (0.45) MAPTATMRAB9ANPC1KMT2A
SCHEMBL21254499 0.77 RAB9A (0.50) MAPTATMRAB9ANPC1KMT2A
SCHEMBL8771274 0.77 MCHR1 (0.46) MAPTATMRAB9ANPC1KMT2A
SCHEMBL18745976 0.77 KMT2A (0.55) MAPTATMRAB9ANPC1KMT2A
SCHEMBL1664311 0.77 KMT2A (0.55) MAPTATMRAB9ANPC1KMT2A

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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