SCHEMBL8303960

SCHEMBL8303960

Cc1ccc(CCNC(=O)c2cc(-c3cccnc3)nc3ccc(S(=O)(=O)N4CCCCCC4)cc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.65
LMNA P02545 3/20 0.64
THRB P10828 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
GAA P10253 1/20 0.58
POLB P06746 2/20 0.56
MAPT P10636 5/20 0.55
ALDH1A1 P00352 3/20 0.55
TP53 P04637 1/20 0.53
XBP1 P17861 1/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51

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
SCHEMBL8304200 0.86 MAPT (0.59) RXFP1LMNATHRBMEN1KMT2A
SCHEMBL8308248 0.84 RXFP1 (0.75) RXFP1LMNATHRBMEN1KMT2A
SCHEMBL8306889 0.81 RXFP1 (0.58) RXFP1LMNATHRBMEN1KMT2A
SCHEMBL8308066 0.76 LMNA (0.86) RXFP1LMNATHRBMEN1KMT2A
SCHEMBL8304067 0.75 LMNA (0.78) RXFP1LMNATHRBMEN1KMT2A
SCHEMBL8305881 0.74 GAA (0.67) RXFP1LMNAGAAPOLBMAPT
SCHEMBL8305679 0.72 RXFP1 (0.71) RXFP1LMNATHRBKMT2APOLB
SCHEMBL16639785 0.72 GAA (0.55) THRBMEN1KMT2AGAAMAPT
SCHEMBL13253404 0.70 KDM4E (0.62) RXFP1LMNAMEN1KMT2APOLB
SCHEMBL18997900 0.70 MAPT (0.67) RXFP1MAPTALDH1A1

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