SCHEMBL1973510

SCHEMBL1973510

Cc1c(C(N)=O)ccc(-n2c(Nc3c(Cl)cccc3Cl)nc3cc(C(=O)O)ccc32)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.44
LCK P06239 3/20 0.43
THRB P10828 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RORC P51449 2/20 0.39
RXRA P19793 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
MTOR P42345 1/20 0.36

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
SCHEMBL1964840 0.87 LCK (0.47) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1965510 0.85 HSD17B10 (0.42) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1966409 0.85 LCK (0.42) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1964624 0.82 LCK (0.45) HSD17B10LCKTHRBRORCCSNK2A2
SCHEMBL1967011 0.82 LCK (0.45) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1970564 0.82 LCK (0.41) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1967758 0.81 LCK (0.45) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1967727 0.80 LCK (0.56) HSD17B10LCKTHRBHTTSMN1; SMN2
SCHEMBL1964379 0.80 KIF11 (0.40) HSD17B10LCKTHRBSMN1; SMN2RORC
SCHEMBL1964805 0.80 KIF11 (0.41) HSD17B10LCKRORCRXRACSNK2A2

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-2334652-A1 1H-BENZ IMIDAZOLE-5-CARBOXAMIDES AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP disclosed