SCHEMBL8952676

SCHEMBL8952676

COC(=O)c1ccc2c(nc(C)n2Cc2ccccc2)c1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 3/20 0.52
MAPT P10636 2/20 0.52
PKM P14618 2/20 0.52
AR P10275 3/20 0.50
TNF P01375 1/20 0.46
DCTPP1 Q9H773 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
HPGD P15428 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTR6 P50406 1/20 0.42
LMNA P02545 1/20 0.42
BRD4 O60885 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL1082621 0.87 ALDH1A1 (0.51) ALDH1A1GAAMAPTPKMAR
SCHEMBL8952733 0.86 TNF (0.46) ALDH1A1GAAMAPTPKMAR
SCHEMBL8953163 0.84 KDM4E (0.55) ALDH1A1GAAMAPTTDP1KDM4E
SCHEMBL8952965 0.83 TNF (0.50) ALDH1A1TNFDCTPP1KDM4EHPGD
SCHEMBL3575084 0.82 KDM4E (0.48) ALDH1A1GAAMAPTPKMAR
SCHEMBL1080943 0.80 TNF (0.47) ALDH1A1GAAMAPTPKMTNF
SCHEMBL8953726 0.77 NPC1 (0.44) ALDH1A1MAPTKDM4EHPGDLMNA
SCHEMBL1080827 0.76 AR (0.53) ALDH1A1GAAMAPTPKMAR
SCHEMBL1081343 0.76 EGLN3 (0.49) ALDH1A1MAPTTNFBRD4HDAC1
SCHEMBL8952770 0.75 TSHR (0.41) ALDH1A1GAAMAPTPKMAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5523279-A COMPOSITION FOR CONTROLLING MONOCOTYLEDENOUS AND DICOTYLEDENOUS PLANT SPECIES AMERICAN CYANAMID COMPANY (US) 1996-06-04 US disclosed
US-5516751-A NONPHYTOTOXIC; SUGAR BEETS, SOYBEANS AMERICAN CYANAMID COMPANY (US) 1996-05-14 US disclosed
EP-0474991-B1 Herbicidal 2-(2-imidazolin -2-yl)-benzazoles AMERICAN CYANAMID CO (US) 1995-10-18 EP disclosed
US-5453415-A To control monocotyledons and dicotyledones; apply to foilage, soil, or water containing seeds; pre-and post-emergence AMERICAN CYANAMID COMPANY (US) 1995-09-26 US disclosed
US-5300479-A Pre-and postemergence herbicides AMERICAN CYANAMID COMPANY (US) 1994-04-05 US disclosed
US-5108485-A Controlling monocotyledonous and dicotyledonous plants AMERICAN CYANAMID COMPANY (US) 1992-04-28 US disclosed
EP-0474991-A1 Herbicidal 2-(2-imidazolin -2-yl)-benzazoles AMERICAN CYANAMID COMPANY (US) 1992-03-18 EP disclosed