SCHEMBL20333146

SCHEMBL20333146

CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)Nc3ccccc3NP)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.51
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 6/20 0.48
▸ HTT P42858 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HDAC1 Q13547 5/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ HDAC8 Q9BY41 2/20 0.48
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC3 O15379 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.47
▸ HDAC2 Q92769 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ HDAC11 Q96DB2 1/20 0.47

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
SCHEMBL20333119 0.92 SUCNR1 (0.49) MAPK8RAB9ASMN1; SMN2HTTLMNA
SCHEMBL20332700 0.81 CYP2C9 (0.54) RAB9ASMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL17066302 0.80 NPC1 (0.62) RAB9ASMN1; SMN2HTTLMNANPSR1
SCHEMBL20875961 0.80 KMT2A (0.54) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL2862442 0.79 ALDH1A1 (0.60) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL23014236 0.79 KDM4E (0.56) SMN1; SMN2HTTLMNANPSR1L3MBTL1
SCHEMBL18083722 0.79 HIF1A (0.69) RAB9AMAPTHIF1AEPAS1KDM4E
SCHEMBL20332850 0.79 SUCNR1 (0.49) RAB9ASMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL16346589 0.79 HDAC1 (0.58) SMN1; SMN2HTTLMNANPSR1HDAC1
SCHEMBL29769921 0.79 RAB9A (0.54) RAB9ASMN1; SMN2LMNANPSR1HDAC1

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-2018119362-A2 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICALS INC. (US) 2018-06-28 — — WO disclosed
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