SCHEMBL7973727

SCHEMBL7973727

CC(C)(C)Cc1nc2cc(CCN)ccc2o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.55
RAB9A P51151 11/20 0.49
NPC1 O15118 10/20 0.49
MAPT P10636 9/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
KDM4E B2RXH2 6/20 0.49
HSD17B10 Q99714 5/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
TP53 P04637 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 3/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48

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
SCHEMBL7993840 0.88 GRK6 (0.50) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7972175 0.77 GAA (0.59) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5733947 0.77 GAA (0.75) GRK6MAPTKDM4EHSD17B10MEN1
SCHEMBL23176649 0.76 KDM4E (0.53) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL26553778 0.76 MEN1 (0.53) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5736775 0.76 GAA (0.48) GRK6RAB9ANPC1MAPTMEN1
SCHEMBL5734523 0.75 ACLY (0.44) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL7997880 0.75 ESR1 (0.50) GRK6RAB9ANPC1MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL25400160 0.75 MEN1 (0.52) GRK6RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4905164 0.75 LOXL2 (0.55) GRK6RAB9ANPC1MAPTSMN1; SMN2

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