SCHEMBL28263496

SCHEMBL28263496

O=C(Nc1ccccc1F)OC(=O)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ KMT2A Q03164 3/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ POLB P06746 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ EPHX2 P34913 3/20 0.45
▸ KDM4E B2RXH2 1/20 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
SCHEMBL14746960 0.88 RAB9A (0.48) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL28160421 0.82 GAA (0.53) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL4744831 0.80 SMN1; SMN2 (0.67) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL19605723 0.76 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL4312525 0.76 MAPT (0.54) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL513736 0.75 RAB9A (0.64) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL21059184 0.75 NPC1 (0.58) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL513735 0.74 RAB9A (0.62) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL43074 0.73 HDAC3 (0.69) RAB9ANPC1SMN1; SMN2NPSR1KMT2A
SCHEMBL306352 0.73 KMT2A (0.53) RAB9ANPC1SMN1; SMN2KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929324-A The preparation and application of novel 1,1- cyclopropyl diamide derivatives 南开大学 2018-12-04 — — CN disclosed
CN-108503650-A Dioxane and quinazoline compounds or its pharmaceutical salts or its hydrate and its application as tyrosine kinase inhibitor 北京赛特明强医药科技有限公司 2018-09-07 — — CN disclosed
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