SCHEMBL8304067

SCHEMBL8304067

COC(CNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12)OC

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.78
THRB P10828 1/20 0.78
RXFP1 Q9HBX9 2/20 0.77
KMT2A Q03164 5/20 0.65
MEN1 O00255 3/20 0.65
HTT P42858 1/20 0.53
POLB P06746 6/20 0.51
MAPT P10636 1/20 0.51
ALDH1A1 P00352 1/20 0.51
XBP1 P17861 1/20 0.51
TSHR P16473 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
SCHEMBL8303840 0.87 KMT2A (0.80) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8308066 0.85 LMNA (0.86) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8308248 0.85 RXFP1 (0.75) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8305679 0.83 RXFP1 (0.71) LMNATHRBRXFP1KMT2AHTT
SCHEMBL8305681 0.79 RXFP1 (0.66) LMNATHRBRXFP1KMT2AHTT
SCHEMBL8311182 0.76 RXFP1 (0.61) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8311184 0.75 RXFP1 (0.60) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8305683 0.75 RXFP1 (0.60) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8303960 0.75 RXFP1 (0.65) LMNATHRBRXFP1KMT2AMEN1
SCHEMBL8306889 0.74 RXFP1 (0.58) LMNATHRBRXFP1KMT2AMEN1

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