SCHEMBL8308066

SCHEMBL8308066

CC1CCN(S(=O)(=O)c2ccc3nc(-c4cccnc4)cc(C(=O)NCCCOC(C)C)c3c2)CC1

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.86
THRB P10828 1/20 0.86
RXFP1 Q9HBX9 2/20 0.80
KMT2A Q03164 3/20 0.62
POLB P06746 5/20 0.58
HTT P42858 1/20 0.54
MAPT P10636 1/20 0.54
TP53 P04637 1/20 0.53
MEN1 O00255 2/20 0.51
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL8304067 0.85 LMNA (0.78) LMNATHRBRXFP1KMT2APOLB
SCHEMBL8308248 0.82 RXFP1 (0.75) LMNATHRBRXFP1KMT2APOLB
SCHEMBL8305679 0.81 RXFP1 (0.71) LMNATHRBRXFP1KMT2APOLB
SCHEMBL8311315 0.78 LMNA (0.74) LMNATHRBRXFP1KMT2AHTT
SCHEMBL8305681 0.77 RXFP1 (0.66) LMNATHRBRXFP1KMT2APOLB
SCHEMBL8303960 0.76 RXFP1 (0.65) LMNATHRBRXFP1KMT2APOLB
SCHEMBL8311182 0.74 RXFP1 (0.61) LMNATHRBRXFP1KMT2AHTT
SCHEMBL8305683 0.73 RXFP1 (0.60) LMNATHRBRXFP1KMT2APOLB
SCHEMBL8311184 0.73 RXFP1 (0.60) LMNATHRBRXFP1KMT2AHTT
SCHEMBL8303840 0.73 KMT2A (0.80) LMNATHRBRXFP1KMT2APOLB

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