SCHEMBL8305790

SCHEMBL8305790

CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCc4ccc(Cl)cc4)c3c2)CC1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.76
POLB P06746 1/20 0.76
BACE1 P56817 3/20 0.70
TP53 P04637 4/20 0.67
KDM4E B2RXH2 3/20 0.64
HTT P42858 1/20 0.64
KMT2A Q03164 2/20 0.57
GAA P10253 2/20 0.54
ALDH1A1 P00352 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
MEN1 O00255 1/20 0.53

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
SCHEMBL8312498 0.90 MAPT (0.75) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8312211 0.90 MAPT (0.75) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8304348 0.84 BACE1 (0.68) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8305881 0.84 GAA (0.67) MAPTPOLBBACE1TP53HTT
SCHEMBL8304419 0.83 MAPT (0.83) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8305689 0.82 LMNA (0.69) MAPTBACE1TP53KDM4EHTT
SCHEMBL8304646 0.82 KDM4E (0.76) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8304655 0.82 MAPT (0.62) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8307575 0.82 BACE1 (0.65) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8308406 0.81 KDM4E (0.74) MAPTPOLBBACE1TP53KDM4E

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-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 WO disclosed