SCHEMBL21621068

SCHEMBL21621068

O=C(COc1ccc(Cl)c(Cl)c1)NC12CC1(COC(=O)Nc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.44
▸ MAPT P10636 6/20 0.44
▸ HTT P42858 5/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ LMNA P02545 5/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ ATF4 P18848 3/20 0.41
▸ GRIN1 Q05586 1/20 0.41
▸ GRIN2B Q13224 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ CETP P11597 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ POLB P06746 1/20 0.39

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
SCHEMBL21621148 0.93 ATF4 (0.47) HDAC4MAPTHTTMEN1KMT2A
SCHEMBL23773097 0.85 ATF4 (0.49) HDAC4MAPTHTTMEN1KMT2A
SCHEMBL21621065 0.85 ATF4 (0.45) MAPTMEN1KMT2AATF4NPC1
SCHEMBL21621077 0.85 NPC1 (0.48) MAPTMAPK1LMNAALDH1A1GAA
SCHEMBL21621133 0.84 ATF4 (0.48) MEN1KMT2AATF4
SCHEMBL23773258 0.80 ATF4 (0.56) MEN1KMT2AALDH1A1ATF4
SCHEMBL23773253 0.79 ATF4 (0.56) HDAC4MAPTHTTMEN1KMT2A
SCHEMBL23773229 0.79 ATF4 (0.54) HDAC4ATF4
SCHEMBL21621079 0.78 ATF4 (0.51) MAPTHTTMEN1KMT2AMAPK1
SCHEMBL23773390 0.75 ATF4 (0.58) ATF4

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
WO-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 — — WO disclosed
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