SCHEMBL11268437

SCHEMBL11268437

CCCCN1C(=O)NC(Cc2ccc(-c3ccccc3)s2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL11265705 0.82 MEN1 (0.51) MMP1MMP3MMP9ALDH1A1HPGD
SCHEMBL11265232 0.79 PLA2G10 (0.48) MMP1MMP3MMP9ALDH1A1NPSR1
SCHEMBL8726366 0.79 PLA2G10 (0.56) MMP1MMP3MMP9ALDH1A1NPSR1
SCHEMBL11259620 0.77 HSD17B10 (0.51) MMP1MMP3MMP9ALDH1A1HPGD
SCHEMBL11271882 0.74 PLA2G10 (0.53) MMP1MMP3MMP9ALDH1A1NPSR1
SCHEMBL11265378 0.72 SMN1; SMN2 (0.43) MMP1MMP3MMP9SMN1; SMN2MAPT
SCHEMBL11259867 0.71 ALDH1A1 (0.45) MMP1MMP3MMP9ALDH1A1KDM4E
SCHEMBL8726569 0.71 HDAC8 (0.46) SMN1; SMN2MAPTMEN1KMT2AL3MBTL1
SCHEMBL4646184 0.70 MMP1 (0.46) MMP1MMP3MMP9SMN1; SMN2KMT2A
SCHEMBL1361115 0.70 MMP1 (0.46) MMP1MMP3MMP9SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0005647-B1 HYDANTOIN COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM Lilly Industries Limited (GB) 1982-06-09 EP disclosed
US-4293563-A ANTIASTHMATICS LILLY INDUSTRIES LIMITED (GB) 1981-10-06 US disclosed
US-4241073-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1980-12-23 US disclosed
EP-0005647-A1 Hydantoin compounds, their preparation and pharmaceutical formulations containing them Lilly Industries Limited (GB) 1979-11-28 EP disclosed