SCHEMBL21621079

SCHEMBL21621079

O=C(COc1ccc(Cl)cc1)NC12CC1(CNC(=O)Nc1ccc(Cl)c(Cl)c1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 7/20 0.51
▸ KMT2A Q03164 8/20 0.47
▸ MEN1 O00255 7/20 0.47
▸ HTT P42858 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ EPHX1 P07099 1/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ CHRM1 P11229 1/20 0.47
▸ SLC6A2 P23975 1/20 0.47
▸ PDE4A P27815 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ OPRM1 P35372 1/20 0.47
▸ PDE3A Q14432 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.47
▸ USP2 O75604 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ RAB9A P51151 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44

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
SCHEMBL21618334 0.86 ATF4 (0.60) ATF4KMT2AMEN1HTTNPC1
SCHEMBL21621113 0.80 ATF4 (0.49) ATF4KMT2AMEN1HTTNPC1
SCHEMBL21621068 0.78 HDAC4 (0.44) ATF4KMT2AMEN1HTTNPC1
SCHEMBL21618336 0.76 ATF4 (0.68) ATF4KMT2AMEN1HTTNPC1
SCHEMBL21618328 0.75 ATF4 (0.57) ATF4KMT2AMEN1NPC1USP2
SCHEMBL19569429 0.74 ATF4 (0.82) ATF4
SCHEMBL31233718 0.72 MEN1 (0.71) KMT2AMEN1HTTLMNAALDH1A1
SCHEMBL12335085 0.71 NPC1 (0.56) KMT2AMEN1HTTNPC1LMNA
SCHEMBL19569575 0.70 ATF4 (0.64) ATF4
SCHEMBL30024822 0.70 ATF4 (0.64) 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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