SCHEMBL1865734

SCHEMBL1865734

CCCS(=O)(=O)NC(Cc1ccc(C)cc1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.45
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
BRAF P15056 9/20 0.42
KLK1 P06870 2/20 0.41
MASP2 O00187 1/20 0.41
FLT3 P36888 1/20 0.41
NAMPT P43490 1/20 0.40

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
SCHEMBL1865731 1.00 KLKB1 (0.45) KLKB1HTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1870117 0.92 BRAF (0.47) KLKB1BRAFKLK1MASP2FLT3
SCHEMBL1861630 0.92 BRAF (0.45) KLKB1BRAFKLK1MASP2FLT3
SCHEMBL1870114 0.92 BRAF (0.47) KLKB1BRAFKLK1MASP2FLT3
SCHEMBL1861627 0.92 BRAF (0.45) KLKB1BRAFKLK1MASP2FLT3
SCHEMBL1867170 0.90 BRAF (0.42) KLKB1BRAFMASP2FLT3NAMPT
SCHEMBL1867173 0.90 BRAF (0.42) KLKB1BRAFMASP2FLT3NAMPT
SCHEMBL1863379 0.89 BRAF (0.47) KLKB1BRAFKLK1MASP2FLT3
SCHEMBL1867774 0.89 BRAF (0.47) KLKB1BRAFKLK1MASP2FLT3
SCHEMBL1863382 0.89 BRAF (0.47) KLKB1BRAFKLK1MASP2FLT3

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
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO claimed