SCHEMBL2315735

SCHEMBL2315735

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B10 Q99714 1/20 0.45
NR4A3 Q92570 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
DHODH Q02127 2/20 0.36
LMNA P02545 1/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
CYP1A2 P05177 2/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
GFER P55789 1/20 0.35
POLR1A O95602 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL2364216 0.88 KDM4E (0.46) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315704 0.81 KDM4E (0.49) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315259 0.77 KDM4E (0.46) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315710 0.77 KDM4E (0.49) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2320290 0.76 KDM4E (0.45) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL9893228 0.74 USP7 (0.41) CYP1A2
SCHEMBL2317968 0.73 KDM4E (0.42) KDM4ECASP1CASP7HSD17B10NR4A3
SCHEMBL2315120 0.69 LMNA (0.48) KDM4EHSD17B10HPGDALDH1A1DHODH
SCHEMBL9086378 0.69 KDM4E (0.46) KDM4ECASP1CASP7HSD17B10ALDH1A1
SCHEMBL9893189 0.69 TP53 (0.42) ALDH1A1CYP1A2POLBCYP2C9

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