SCHEMBL8304700

SCHEMBL8304700

C=C(O)c1c(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCCCC3)cc2c1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
CASP3 P42574 1/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
USP2 O75604 3/20 0.46
MAPT P10636 3/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 3/20 0.46
RECQL P46063 2/20 0.46
NPSR1 Q6W5P4 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43

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
SCHEMBL8306889 0.82 RXFP1 (0.58) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8304200 0.70 MAPT (0.59) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL30058951 0.70 ALDH1A1 (0.68) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL28882091 0.69 ALDH1A1 (0.69) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8303960 0.68 RXFP1 (0.65) MAPK1MEN1KMT2AALDH1A1MAPT
SCHEMBL11545877 0.67 MAPT (0.57) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL21772291 0.67 MEN1 (0.80) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL8305679 0.66 RXFP1 (0.71) KMT2AALDH1A1MAPTNPSR1LMNA
SCHEMBL27083786 0.66 HPGD (0.68) MAPK1MEN1KMT2AALDH1A1HPGD
SCHEMBL20467488 0.65 HPGD (0.82) ALDH1A1HPGDMAPTKDM4EGAA

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