SCHEMBL5176115

SCHEMBL5176115

CS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.56
BCR P11274 7/20 0.56
PDGFRB P09619 4/20 0.56
HDAC3 O15379 2/20 0.56
KDR P35968 2/20 0.56
HDAC4 P56524 2/20 0.56
HDAC1 Q13547 2/20 0.56
HDAC7 Q8WUI4 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC10 Q969S8 2/20 0.56
HDAC11 Q96DB2 2/20 0.56
HDAC8 Q9BY41 2/20 0.56
HDAC6 Q9UBN7 2/20 0.56
HDAC9 Q9UKV0 2/20 0.56
HDAC5 Q9UQL6 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
RAB9A P51151 5/20 0.54

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
SCHEMBL6871374 0.92 ABL1 (0.58) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL718498 0.89 ABL1 (0.70) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL5175191 0.86 ABL1 (0.60) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL716396 0.85 ABL1 (0.75) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL5512481 0.85 ABL1 (0.51) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL7038373 0.84 ABL1 (0.52) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL717030 0.83 GAA (0.65) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL5972230 0.82 ABL1 (0.60) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL7151895 0.82 ABL1 (0.71) ABL1BCRPDGFRBHDAC3KDR
SCHEMBL14586437 0.82 ABL1 (0.72) ABL1BCRPDGFRBHDAC3KDR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742633-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB Science (FR) 2007-01-17 EP disclosed
WO-2005102346-A2 USE OF C-KIT INHIBITORS FOR TREATING FIBROSIS AB SCIENCE (FR) 2005-11-03 WO disclosed