SCHEMBL9164786

SCHEMBL9164786

O=C(O)C(=CNc1ccc(Cl)cc1C(=O)c1ccccc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 6/20 0.56
LMNA P02545 4/20 0.56
SERPINE1 P05121 1/20 0.54
TP53 P04637 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 3/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GAA P10253 1/20 0.50
MITF O75030 1/20 0.49
HSP90AA1 P07900 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TLR9 Q9NR96 1/20 0.49
MEN1 O00255 1/20 0.48

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
SCHEMBL11457524 0.84 MAPT (0.62) MAPTALDH1A1LMNASERPINE1TP53
SCHEMBL11571840 0.80 MAPT (0.86) MAPTALDH1A1LMNASERPINE1TP53
SCHEMBL333291 0.79 MAPT (0.67) MAPTALDH1A1LMNASERPINE1TP53
SCHEMBL31384417 0.79 MAPT (0.67) MAPTALDH1A1LMNASERPINE1TP53
SCHEMBL11866382 0.78 MAPT (0.55) MAPTALDH1A1LMNASERPINE1TP53
Ethane SCHEMBL11534058 0.78 MAPT (0.65) MAPTALDH1A1LMNASERPINE1TP53
Ammonia Solution, Strong SCHEMBL28210514 0.78 MAPT (0.65) MAPTALDH1A1LMNASERPINE1TP53
SCHEMBL11804826 0.77 LMNA (0.52) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL27611956 0.77 MAPT (0.72) MAPTALDH1A1LMNASERPINE1TP53
SCHEMBL9853488 0.77 MAPT (0.63) MAPTALDH1A1LMNASERPINE1TP53

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-0354994-B1 Quinoline derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-01-25 EP disclosed
US-5254565-A Enzyme inhibitors; anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-10-19 US disclosed