SCHEMBL9844335

SCHEMBL9844335

Cc1ccc(-c2nnc3c(C)cccn23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.49
MAPT P10636 6/20 0.49
NPC1 O15118 4/20 0.49
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 3/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
RXFP1 Q9HBX9 2/20 0.43
TP53 P04637 3/20 0.41
POLB P06746 1/20 0.41
NR1I2 O75469 1/20 0.41
HSD11B1 P28845 1/20 0.41
THRB P10828 1/20 0.41
USP7 Q93009 1/20 0.41
KDM4E B2RXH2 6/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL9844367 0.88 KDM4E (0.50) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL9844107 0.87 ALDH1A1 (0.53) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL9844105 0.86 KDM4E (0.57) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL9844400 0.81 KDM4E (0.41) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL9844299 0.78 NR1I2 (0.39) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL10179020 0.75 NR1I2 (0.46) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL24377487 0.72 ALDH1A1 (0.47) GAAMAPTNPC1ALDH1A1RAB9A
SCHEMBL9844298 0.71 PDE2A (0.47) GAANPC1ALDH1A1RAB9APOLB
SCHEMBL9844092 0.71 HSD11B1 (0.54) GAANPC1ALDH1A1RAB9ANR1I2
SCHEMBL29833395 0.70 GAA (0.62) GAAMAPTNPC1ALDH1A1RAB9A

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