SCHEMBL9844299

SCHEMBL9844299

Cc1ccc(-c2nnc3c(C)cccn23)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.39
HSD11B1 P28845 1/20 0.39
GAA P10253 5/20 0.37
MAPT P10636 3/20 0.37
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 5/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HPGD P15428 4/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 2/20 0.35
GLA P06280 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL9844335 0.78 GAA (0.49) NR1I2HSD11B1GAAMAPTTP53
SCHEMBL9844092 0.77 HSD11B1 (0.54) NR1I2HSD11B1GAAALDH1A1NPC1
SCHEMBL9844298 0.74 PDE2A (0.47) NR1I2HSD11B1GAAPOLBALDH1A1
SCHEMBL9844107 0.73 ALDH1A1 (0.53) NR1I2HSD11B1GAAMAPTTP53
SCHEMBL10179020 0.71 NR1I2 (0.46) NR1I2HSD11B1GAAMAPTTP53
SCHEMBL2747352 0.71 HSD11B1 (0.55) HSD11B1GAAMAPTTP53ALDH1A1
SCHEMBL9691041 0.71 RAB9A (0.36) HSD11B1GAAMAPTTP53POLB
SCHEMBL9844367 0.70 KDM4E (0.50) NR1I2HSD11B1GAAMAPTTP53
SCHEMBL19663187 0.70 RAB9A (0.68) GAAMAPTTP53ALDH1A1NPC1
SCHEMBL9844105 0.69 KDM4E (0.57) NR1I2HSD11B1GAAMAPTTP53

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
EP-0441718-A1 Herbicidally active triazolopyridine compounds RHONE-POULENC AGROCHIMIE (FR) 1991-08-14 EP disclosed