SCHEMBL7965688

SCHEMBL7965688

COCc1cnc(-c2ccccc2)n(CC(=O)O)c1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ELANE P08246 2/20 0.41
AKR1B10 O60218 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 1/20 0.39
CMA1 P23946 1/20 0.39
CTRC Q99895 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
SCHEMBL7951054 0.89 CYP1A2 (0.43) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL7965013 0.82 HSD17B10 (0.37) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL7962214 0.81 ALDH1A1 (0.46) KDM4EHPGDHSD17B10CYP1A2CYP2C19
SCHEMBL7965891 0.80 KCNA5 (0.41) KDM4EHSD17B10ALDH1A1SMN1; SMN2ELANE
SCHEMBL30765677 0.79 KDM4E (0.49) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL6239360 0.78 CMA1 (0.53) KDM4EHSD17B10ELANECMA1CTRC
SCHEMBL7960592 0.77 SMN1; SMN2 (0.60) KDM4EHPGDHSD17B10CYP1A2CYP2C9
SCHEMBL6804111 0.77 CMA1 (0.53) KDM4EHSD17B10ELANECMA1CTRC
Hydrochloric Acid SCHEMBL6805327 0.77 CMA1 (0.53) KDM4EHSD17B10ELANECMA1CTRC
SCHEMBL5728202 0.75 ELANE (0.54) KDM4EHPGDHSD17B10ELANE

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
US-6300337-B1 Acetamide derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-10-09 US disclosed
EP-1055683-A1 NOVEL ACETAMIDE DERIVATIVE AND USE THEREOF Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-29 EP disclosed