SCHEMBL8029692

SCHEMBL8029692

CCCCCC1NC(=O)C(CCCCC)N1Br

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.38
MMP3 P08254 2/20 0.38
MMP9 P14780 2/20 0.38
PRKCD Q05655 8/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HLCS P50747 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TNF P01375 1/20 0.33
LMNA P02545 2/20 0.31
MGLL Q99685 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL8029695 0.79 MMP1 (0.38) MMP1MMP3MMP9PRKCDALDH1A1
SCHEMBL19683169 0.70 ALDH1A1 (0.37) PRKCDALDH1A1MEN1KMT2AKDM4E
SCHEMBL11864710 0.70 ALDH1A1 (0.37) PRKCDALDH1A1MEN1KMT2AKDM4E
SCHEMBL221917 0.67 GBA1 (0.41) MMP1MMP3MMP9PRKCDALDH1A1
SCHEMBL8607884 0.67 CYP1A2 (0.31)
SCHEMBL5452034 0.66
SCHEMBL10714123 0.66 PRKCD (0.42) PRKCDALDH1A1MEN1KMT2AKDM4E
SCHEMBL8029726 0.66 ALDH1A1 (0.33) MMP1MMP3MMP9ALDH1A1HLCS
SCHEMBL8998181 0.65 ALDH1A1 (0.45) MMP1MMP3MMP9ALDH1A1MEN1
SCHEMBL5442521 0.65 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3072774-B2 2000-08-07 JP claimed
EP-0513239-B1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES UNIV AUBURN (US) 1998-04-08 EP claimed
EP-0513239-A4 N,N'-DIHALOIMIDAZOLIDIN-4-ONES 1993-03-10 EP claimed
EP-0513239-A1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES AUBURN UNIVERSITY (US) 1992-11-19 EP claimed
US-5126057-A Stabilizers against solar radiation AUBURN RESEARCH FOUNDATION (US) 1992-06-30 US claimed
WO-1991010623-A1 N,N'-DIHALOIMIDAZOLIDIN-4-ONES AUBURN UNIVERSITY (US) 1991-07-25 WO claimed