SCHEMBL7973729

SCHEMBL7973729

CC(N)c1ccc2oc(CC(C)(C)C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
KDM4E B2RXH2 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 3/20 0.46
TP53 P04637 3/20 0.46
HSD17B10 Q99714 3/20 0.46
GRK6 P43250 1/20 0.41
ACLY P53396 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL6782970 0.81 MAOA (0.56) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL5733868 0.78 NPC1 (0.45) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL5737775 0.77 ACLY (0.44) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL23176649 0.76 KDM4E (0.53) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL7993840 0.76 GRK6 (0.50) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL5734523 0.75 ACLY (0.44) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL7997880 0.75 ESR1 (0.50) MAPTNPC1RAB9AKDM4EMEN1
Hydrochloric Acid SCHEMBL6915336 0.74 GAA (0.41) MAPTNPC1RAB9AKDM4EHSD17B10
SCHEMBL7973727 0.73 GRK6 (0.55) MAPTNPC1RAB9AKDM4EMEN1
SCHEMBL6782984 0.73 GAA (0.60) KDM4EMEN1KMT2AALDH1A1ACLY

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
WO-2001055143-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed
WO-2001055136-A1 BENZOXAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES SYNGENTA LIMITED (GB) 2001-08-02 WO disclosed