SCHEMBL4742589

SCHEMBL4742589

CC(C)(C)OC(=O)CC(NC(=O)c1cnc2cc([N+](=O)[O-])ccc2c1N1CCN(C(=O)OC(C)(C)C)CC1)C(O)CF

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 8/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
PDGFRB P09619 2/20 0.35
KIT P10721 1/20 0.35
PDGFRA P16234 1/20 0.35
FLT3 P36888 1/20 0.35
PTPN11 Q06124 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 3/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
THRB P10828 1/20 0.33

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
SCHEMBL4739339 0.88 MET (0.46) METALDH1A1MAPTLMNAPDGFRB
SCHEMBL4742105 0.88 THRB (0.45) METMAPTPDGFRBPTPN11SMN1; SMN2
SCHEMBL4786909 0.85 MET (0.39) METALDH1A1MAPTLMNAPTPN11
SCHEMBL4742143 0.80 ALDH1A1 (0.58) METALDH1A1MAPTLMNAPDGFRB
SCHEMBL4742558 0.80 USP2 (0.44) METMAPTLMNAPTPN11SMN1; SMN2
SCHEMBL4743466 0.78 THRB (0.46) ALDH1A1MAPTSMN1; SMN2TSHRTHRB
SCHEMBL4742104 0.78 MAPT (0.53) METALDH1A1MAPTLMNAPDGFRB
SCHEMBL4785479 0.77 THRB (0.42) METALDH1A1MAPTLMNAKIT
SCHEMBL4743406 0.73 MET (0.39) METALDH1A1MAPTLMNAKIT
SCHEMBL5637927 0.70 ALDH1A1 (0.60) METALDH1A1MAPTLMNASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed