SCHEMBL5169399

SCHEMBL5169399

O=C(O)C=Cc1cnc(N(C(=O)Nc2ccc(Cl)cc2)C2CCNCC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 2/20 0.40
EGFR P00533 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
HRH1 P35367 1/20 0.36
TACR1 P25103 1/20 0.36
FPR1 P21462 2/20 0.36
FPR2 P25090 2/20 0.36
RAB9A P51151 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL5169394 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3EGFRMMP1
SCHEMBL13839202 0.75 NPC1 (0.48) SLC6A2SLC6A4SLC6A3EGFRMMP1
Hydrochloric Acid SCHEMBL3812810 0.74 NPC1 (0.47) SLC6A2SLC6A4SLC6A3EGFRMMP1
SCHEMBL4217468 0.68 PAK1 (0.48) LMNARAB9A
SCHEMBL4217461 0.68 PAK1 (0.48) LMNARAB9A
Hydrochloric Acid SCHEMBL4227057 0.68 PIM2 (0.38) SLC6A2SLC6A4RAB9A
Hydrochloric Acid SCHEMBL4227052 0.68 PIM2 (0.38) SLC6A2SLC6A4RAB9A
SCHEMBL14141312 0.66 KCNH2 (0.53) SLC6A2SLC6A4SLC6A3RAB9ADCUN1D1
SCHEMBL4230931 0.65 CHEK1 (0.43) RAB9A
SCHEMBL4230936 0.65 CHEK1 (0.43) RAB9A

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-1776357-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) Astellas Pharma Inc. (JP) 2007-04-25 EP disclosed
WO-2006016680-A1 HYDROXYAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF HISTONE DEACETYLASE (HDAC) ASTELLAS PHARMA INC. (JP) 2006-02-16 WO disclosed