SCHEMBL11054495

SCHEMBL11054495

CCc1[nH]c(=O)c(C#N)cc1C(=O)CC(=O)c1ccc(OC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ ALOX15 P16050 2/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ TP53 P04637 2/20 0.42
▸ ALOX12 P18054 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PDE3B Q13370 1/20 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
SCHEMBL7385630 0.87 MAPT (0.45) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11016109 0.87 SMN1; SMN2 (0.42) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11018063 0.86 NPC1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11016904 0.86 CRHBP (0.50) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL11021179 0.84 PDE3B (0.58) ALDH1A1LMNAKDM4EPDE3BPDE3A
SCHEMBL11015886 0.80 PDE3B (0.47) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL11019489 0.78 PDE3B (0.46) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL9477815 0.78 PDE3B (0.50) MAPTMEN1KMT2AALDH1A1HSD17B10
SCHEMBL11017990 0.78 KMT2A (0.49) RAB9AMAPTMEN1KMT2AALDH1A1
SCHEMBL11022099 0.77 PDE3B (0.52) MAPTMEN1KMT2AALDH1A1HSD17B10

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-0154190-A1 Pyridones MERCK PATENT GmbH (DE) 1985-09-11 — — EP disclosed
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