SCHEMBL3720281

SCHEMBL3720281

Cc1cc(C)c(NC(=O)c2sc(NCCC(=O)Oc3ccccc3)nc2C)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LCK P06239 15/20 0.61
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL5607804 0.85 LCK (0.71) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14568924 0.83 LCK (0.73) LCKALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7625983 0.82 LCK (0.65) LCK
SCHEMBL5607823 0.82 LCK (0.58) LCKNPC1RAB9A
SCHEMBL5608004 0.81 LCK (0.69) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL5607634 0.80 LCK (0.56) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL773079 0.79 LCK (0.64) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL774447 0.79 RAB9A (0.70) LCKNPC1RAB9AALDH1A1SMN1; SMN2
Benzene SCHEMBL773080 0.79 LCK (0.69) LCKNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18047823 0.77 LCK (0.65) LCKNPC1RAB9AALDH1A1SMN1; SMN2

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 8 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 claimed
WO-2005094376-A2 SYNERGISTIC METHODS AND COMPOSITIONS FOR TREATING CANCER BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-13 WO claimed
EP-1169038-A4 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2004-10-13 EP claimed
EP-1169038-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-01-09 EP claimed
WO-2000062778-A1 CYCLIC PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB CO. (US) 2000-10-26 WO claimed
WO-2010120388-A1 OLIGOMER-PROTEIN TYROSINE KINASE INHIBITOR CONJUGATES NEKTAR THERAPEUTICS (US) 2010-10-21 WO disclosed
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