SCHEMBL21254928

SCHEMBL21254928

CNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ MAPT P10636 7/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ LMNA P02545 3/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ MCL1 Q07820 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ TP53 P04637 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ PKM P14618 2/20 0.53
▸ ATM Q13315 1/20 0.53
▸ MCHR1 Q99705 2/20 0.53
▸ USP2 O75604 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ NR4A1 P22736 1/20 0.52
▸ ALOX15 P16050 2/20 0.51
▸ HDAC8 Q9BY41 1/20 0.51

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
SCHEMBL8769706 0.94 RAB9A (0.58) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL18745976 0.88 KMT2A (0.55) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL1664311 0.88 KMT2A (0.55) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL21254884 0.87 RAB9A (0.52) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL1663619 0.87 RAB9A (0.52) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL8770684 0.86 KMT2A (0.52) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL1663107 0.86 SMYD3 (0.55) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL1663377 0.86 HPGDS (0.55) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL21254900 0.86 MAPT (0.45) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL1664469 0.85 RAB9A (0.58) RAB9ANPC1MAPTKMT2ALMNA

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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