SCHEMBL8304655

SCHEMBL8304655

CC1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)NCCc4ccccc4)c3c2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
POLB P06746 1/20 0.62
BACE1 P56817 3/20 0.61
TP53 P04637 2/20 0.56
KDM4E B2RXH2 2/20 0.55
HTT P42858 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54

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
SCHEMBL8304662 0.92 TP53 (0.63) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8307575 0.89 BACE1 (0.65) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8311209 0.88 BACE1 (0.66) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8312029 0.88 BACE1 (0.66) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8304133 0.88 BACE1 (0.69) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8311735 0.86 BACE1 (0.74) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8311990 0.85 BACE1 (0.82) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8304659 0.85 TP53 (0.64) MAPTPOLBBACE1TP53KDM4E
SCHEMBL8312507 0.84 LMNA (0.66) BACE1TP53HTTALDH1A1MEN1
SCHEMBL8312234 0.84 BACE1 (0.59) 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