SCHEMBL9319646

SCHEMBL9319646

Cc1cccc(N2C=CC=CCC2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HSP90AA1 P07900 1/20 0.45
MGLL Q99685 1/20 0.45
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX5 P09917 4/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CASP6 P55212 1/20 0.41
ADRB1 P08588 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 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
SCHEMBL9319068 0.80 ELANE (0.41) MGLLMAPTALOX5MEN1KMT2A
SCHEMBL9855189 0.72 L3MBTL1 (0.53) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL28424953 0.70 MGLL (0.61) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL9320296 0.70 KMT2A (0.46) L3MBTL1MGLLMAPTALOX5MEN1
SCHEMBL259385 0.68 L3MBTL1 (1.00) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL22423676 0.67 HSP90AA1 (0.47) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL16291450 0.67 MEN1 (0.41) MGLLMAPTMEN1KMT2AGAA
SCHEMBL9644524 0.67 ALOX5 (0.51) L3MBTL1HSP90AA1MGLLMAPTHSD17B10
SCHEMBL17503368 0.66 ALDH1A1 (0.49) L3MBTL1HSP90AA1MGLLHSD17B10MEN1
SCHEMBL8121918 0.66 L3MBTL1 (0.68) L3MBTL1HSP90AA1MGLLMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0267277-B1 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS WHITBY RESEARCH INC (US) 1994-01-19 EP disclosed
EP-0325613-B1 PENETRATION ENHANCERS FOR TRANSDERMAL DELIVERY OF SYSTEMIC AGENTS WHITBY RESEARCH, Inc. (US) 1993-09-08 EP disclosed
US-5142044-A Lactam derivatives WHITBY RESEARCH, INC. (US) 1992-08-25 US disclosed
EP-0267277-A4 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. NELSON RES & DEV COMPANY (US) 1990-03-21 EP disclosed
US-4801586-A N-HETEROCYCLES NELSON RESEARCH & DEVELOPMENT CO. (US) 1989-01-31 US disclosed
US-4755535-A Compositions comprising 1-substituted azacycloalkenes NELSON RESEARCH & DEVELOPMENT CO. (US) 1988-07-05 US disclosed
EP-0267277-A1 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS. NELSON RES & DEV (US) 1988-05-18 EP disclosed
WO-1987006583-A1 COMPOSITIONS COMPRISING 1-SUBSTITUTED LACTAMS NELSON RESEARCH AND DEVELOPMENT COMPANY (US) 1987-11-05 WO disclosed