SCHEMBL5026089

SCHEMBL5026089

CN1CCN(CCNC(=O)C(=CCCCCC(N)=O)COc2cccc3ccccc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ KDM4E B2RXH2 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DRD3 P35462 5/20 0.40
▸ FAAH O00519 4/20 0.40
▸ DRD2 P14416 3/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ OGG1 O15527 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
SCHEMBL5017280 0.84 HRH3 (0.45) MEN1KMT2AKDM4EHSD17B10TSHR
SCHEMBL1306561 0.78 CNR2 (0.47) KMT2AKDM4ETSHRCNR1ALDH1A1
SCHEMBL1306558 0.78 CNR2 (0.47) KMT2AKDM4ETSHRCNR1ALDH1A1
SCHEMBL3816745 0.78 ALDH1A1 (0.55) MEN1KMT2AKDM4EHSD17B10TSHR
SCHEMBL3816749 0.78 ALDH1A1 (0.55) MEN1KMT2AKDM4EHSD17B10TSHR
SCHEMBL1305961 0.77 L3MBTL1 (0.48) KMT2AKDM4EHSD17B10TSHRL3MBTL1
SCHEMBL1305962 0.77 L3MBTL1 (0.48) KMT2AKDM4EHSD17B10TSHRL3MBTL1
SCHEMBL1308527 0.77 HPGD (0.49) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL1308523 0.77 HPGD (0.49) MEN1KMT2AKDM4ETSHRALDH1A1
SCHEMBL22403025 0.76 HTR1B (0.45) KDM4ETSHRCNR1ALDH1A1HPGD

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
EP-1945606-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2008-07-23 — — EP disclosed
WO-2007052938-A1 ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-05-10 — — WO disclosed
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