SCHEMBL2364216

SCHEMBL2364216

CCc1c(C(C)(C)C)nc2c(C(=O)O)cccn12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NR4A3 Q92570 1/20 0.39
DHODH Q02127 2/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
POLR1A O95602 2/20 0.35
CLCN2 P51788 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33

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
SCHEMBL2315735 0.88 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315704 0.82 KDM4E (0.49) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315259 0.78 KDM4E (0.46) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315710 0.78 KDM4E (0.49) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2320290 0.77 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2317968 0.74 KDM4E (0.42) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315120 0.70 LMNA (0.48) KDM4EHSD17B10DHODHKMT2ANPC1
SCHEMBL9086378 0.70 KDM4E (0.46) KDM4ECASP1CASP7HSD17B10DHODH
SCHEMBL10030820 0.70 CYP1A2 (0.47) KDM4ECASP1CASP7HSD17B10DHODH
SCHEMBL10030817 0.70 KDM4E (0.44) KDM4ECASP1CASP7HSD17B10NR4A3

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-2125807-B1 IMIDAZO[1,2-A]PYRROLO[3,2-C]PYRIDINE COMPOUNDS USEFUL AS PESTIVIRUS INHIBITORS UNIV LEUVEN KATH (BE) 2011-08-03 EP disclosed