SCHEMBL28814749

SCHEMBL28814749

CC1C(=O)C(=O)Oc2cc(N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 2/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 6/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 2/20 0.36
GLA P06280 1/20 0.36
RECQL P46063 1/20 0.36
ANPEP P15144 2/20 0.35
GFER P55789 2/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL29767372 0.77 MAOA (0.45) MAPTMEN1KMT2ASMN1; SMN2USP2
SCHEMBL27868859 0.71 ALDH1A1 (0.42) GRK6POLBMAPTMEN1KMT2A
SCHEMBL9626987 0.66 CHEK1 (0.50) GRK6POLBMAPTMEN1KMT2A
SCHEMBL28023540 0.66 GRK6 (0.41) GRK6POLBMAPTMEN1KMT2A
SCHEMBL11980629 0.65 GAA (0.33) GRK6POLBMAPTMEN1KMT2A
SCHEMBL6584161 0.64 CA12 (0.35) MAPTKDM4ENPC1ALDH1A1SMN1; SMN2
SCHEMBL6670418 0.64 ALDH1A1 (0.41) POLBMAPTMEN1KMT2AKDM4E
SCHEMBL8295320 0.64 MAOA (0.44) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL21448621 0.64 MAOA (0.44) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL28729915 0.63 CHEK1 (0.43) MAPTMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104114712-A In vitro detection of microorganisms having azoreductase Activity BIOMERIEUX SA 2014-10-22 CN disclosed