SCHEMBL8308248

SCHEMBL8308248

Cc1ccc(CNC(=O)c2cc(-c3cccnc3)nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc23)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.75
LMNA P02545 4/20 0.74
THRB P10828 1/20 0.74
ALDH1A1 P00352 1/20 0.60
XBP1 P17861 1/20 0.60
POLB P06746 5/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.55
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 1/20 0.51
NAMPT P43490 1/20 0.50
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
SCHEMBL8304067 0.85 LMNA (0.78) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8303960 0.84 RXFP1 (0.65) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8305679 0.83 RXFP1 (0.71) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8308066 0.82 LMNA (0.86) RXFP1LMNATHRBPOLBKMT2A
SCHEMBL8304200 0.80 MAPT (0.59) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8311946 0.79 KDM4E (0.61) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8305681 0.79 RXFP1 (0.66) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8305649 0.78 HTT (0.61) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8311182 0.76 RXFP1 (0.61) RXFP1LMNATHRBALDH1A1XBP1
SCHEMBL8304644 0.75 LMNA (0.66) RXFP1LMNAALDH1A1KMT2ATDP1

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