SCHEMBL11065502

SCHEMBL11065502

CCCCCCCCCCCCCCCCNc1ccc(C(=O)NCC(N)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MLYCD O95822 1/20 0.53
▸ NAAA Q02083 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ PLK1 P53350 3/20 0.51
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ PRSS1 P07477 5/20 0.49
▸ F2 P00734 2/20 0.49
▸ PRSS2 P07478 2/20 0.49
▸ PRSS3 P35030 2/20 0.49
▸ TMPRSS6 Q8IU80 2/20 0.49
▸ ST14 Q9Y5Y6 2/20 0.49
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC2 Q92769 2/20 0.48
▸ THRA P10827 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46

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
SCHEMBL11071683 0.84 PLK1 (0.56) L3MBTL1MLYCDNAAACA2PLK1
SCHEMBL11074814 0.83 PLK1 (0.53) L3MBTL1MLYCDNAAACA2PLK1
SCHEMBL11071146 0.83 NPC1 (0.55) L3MBTL1MLYCDNAAAPLK1MEN1
SCHEMBL6018274 0.82 PRSS1 (0.57) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL10423618 0.82 PRSS1 (0.57) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL16093023 0.81 L3MBTL1 (0.67) L3MBTL1MLYCDNAAACA2PLK1
SCHEMBL11062946 0.81 L3MBTL1 (0.62) L3MBTL1MLYCDNAAACA2PLK1
SCHEMBL13494653 0.81 L3MBTL1 (0.61) L3MBTL1MLYCDNAAACA2HDAC1
SCHEMBL10356667 0.81 PRSS1 (0.56) PLK1PRSS1F2PRSS2PRSS3
SCHEMBL11066925 0.80 CA2 (0.58) L3MBTL1MLYCDNAAACA2PLK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4485105-A Method of treating hyperlipidemia with 4-(monoalkylamino)benzoic acid amides AMERICAN CYANAMID COMPANY (US) 1984-11-27 — — US disclosed
US-4242273-A ANTILIPEMIC AND ANTICHOLESTEROL AGENTS AMERICAN CYANAMID COMPANY (US) 1980-12-30 — — US disclosed
US-4136256-A HYPOLIPIDEMIC, ANTIATHEROSCLEROTIC AMERICAN CYANAMID COMPANY (US) 1979-01-23 — — US disclosed
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