SCHEMBL3241407

SCHEMBL3241407

O=C(O)Oc1cn(Cc2ccc(OC(F)(F)F)cc2)c2cc(Cl)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 4/20 0.46
P2RX7 Q99572 2/20 0.41
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
TOP1 P11387 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 2/20 0.39
FEN1 P39748 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3238815 0.88 PDE4A (0.44) P2RX7TP53MAPTTOP1
SCHEMBL3228576 0.88 SERPINE1 (0.52) SERPINE1TOP1LMNAALDH1A1
SCHEMBL3237157 0.88 MAPT (0.48) TP53MAPTTOP1THRB
SCHEMBL3243021 0.86 SERPINE1 (0.49) SERPINE1TP53MAPTLMNAFEN1
SCHEMBL3242072 0.83 ICMT (0.50) P2RX7TP53MAPTLMNAALDH1A1
SCHEMBL3236676 0.83 CHRM1 (0.55) SERPINE1TP53LMNA
SCHEMBL6202850 0.81 HPGD (0.47) MAPTLMNAALDH1A1
SCHEMBL3236698 0.80 CHRM1 (0.54) SERPINE1
SCHEMBL6214042 0.78 PIM1 (0.42) MAPTTOP1LMNAALDH1A1
SCHEMBL3241350 0.78 CHRM1 (0.56) SERPINE1P2RX7FEN1

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
EP-1963271-B1 QUINOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME (US) 2010-07-28 EP claimed