SCHEMBL5606790

SCHEMBL5606790

CCCc1ccc(NC(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)cc1C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LCK P06239 7/20 0.60
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CLK1 P49759 1/20 0.42

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
SCHEMBL3728661 0.82 LCK (0.79) LCK
SCHEMBL773665 0.82 LCK (0.62) LCKMEN1KMT2APOLBALDH1A1
SCHEMBL775124 0.81 LCK (0.69) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL774069 0.79 LCK (0.67) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14568765 0.79 LCK (0.73) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL27562404 0.79 LCK (0.77) LCKMAPT
SCHEMBL14568779 0.78 SMN1; SMN2 (0.68) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22824733 0.77 LCK (0.58) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL22824734 0.77 LCK (0.58) LCKMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14568750 0.76 LCK (1.00) LCK

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-1758564-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER Brystol-Myers Squibb Company (US) 2007-03-07 EP disclosed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO disclosed