SCHEMBL8305884

SCHEMBL8305884

CCC(C)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.46
BACE1 P56817 1/20 0.46
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL8305991 0.86 KDM4E (0.60) TP53MAPTGAAALDH1A1POLB
SCHEMBL8305695 0.85 TP53 (0.65) TP53MAPTGAAALDH1A1POLB
SCHEMBL8305815 0.84 KDM4E (0.62) TP53MAPTGAAALDH1A1POLB
SCHEMBL8305716 0.84 KDM4E (0.62) TP53MAPTGAAALDH1A1POLB
SCHEMBL8308106 0.84 TP53 (0.58) TP53GAAALDH1A1POLBBACE1
SCHEMBL8306950 0.82 KDM4E (0.57) TP53MAPTGAAALDH1A1POLB
SCHEMBL8308354 0.82 KDM4E (0.51) TP53MAPTGAAALDH1A1BACE1
SCHEMBL8305720 0.81 RXFP1 (0.58) TP53MAPTGAAALDH1A1POLB
SCHEMBL8305992 0.81 RXFP1 (0.66) TP53MAPTGAAALDH1A1POLB
SCHEMBL8312492 0.80 TP53 (0.63) TP53MAPTALDH1A1POLBBACE1

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