SCHEMBL5608233

SCHEMBL5608233

COc1cccc(C)c1NC(=O)c1sc(NC(=O)O)nc1C

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.64
LCK P06239 12/20 0.61
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CLK1 P49759 1/20 0.51

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
SCHEMBL5607542 0.89 LCK (0.71) CHRNA7LCK
SCHEMBL775096 0.87 LCK (0.84) CHRNA7LCKKDM4EALDH1A1MAPT
SCHEMBL1539906 0.84 LCK (0.60) CHRNA7LCKKDM4EALDH1A1MAPT
SCHEMBL6604812 0.83 LCK (0.83) CHRNA7LCKALDH1A1
SCHEMBL5607299 0.81 LCK (0.59) CHRNA7LCKALDH1A1MAPT
SCHEMBL6834770 0.79 CHRNA7 (0.49) CHRNA7LCKKDM4EALDH1A1MAPT
SCHEMBL5607304 0.79 LCK (0.57) CHRNA7LCKALDH1A1
SCHEMBL774457 0.79 LCK (0.72) CHRNA7LCKKDM4EALDH1A1MAPT
SCHEMBL772863 0.77 LCK (0.71) CHRNA7LCKKDM4EALDH1A1MAPT
SCHEMBL5607983 0.77 CHRNA7 (0.60) CHRNA7LCKKDM4EALDH1A1MAPT

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