SCHEMBL8312671

SCHEMBL8312671

CC1CCCCN1S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCc3ccc(F)cc3Cl)c2c1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
POLB P06746 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TP53 P04637 2/20 0.59
BACE1 P56817 3/20 0.58
RXFP1 Q9HBX9 2/20 0.56
HTT P42858 2/20 0.54
LMNA P02545 1/20 0.54
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 2/20 0.47

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
SCHEMBL8307086 0.90 MAPT (0.71) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8304661 0.88 RXFP1 (0.67) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8308181 0.84 MAPT (0.83) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8307104 0.83 MAPT (0.72) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8307106 0.83 MAPT (0.72) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8311545 0.83 MAPT (0.73) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8307061 0.83 MAPT (0.73) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8305904 0.81 MAPT (0.86) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8308124 0.81 MAPT (1.00) MAPTPOLBMEN1KMT2ATP53
SCHEMBL8307119 0.81 MAPT (0.59) MAPTPOLBMEN1KMT2ATP53

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