SCHEMBL6765574

SCHEMBL6765574

COc1ccc(Sc2c(C)cc(N)cc2C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
POLB P06746 1/20 0.45
GFER P55789 1/20 0.45
AR P10275 2/20 0.44
TYMS P04818 1/20 0.36
DHFR P00374 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
EGFR P00533 1/20 0.35
PDGFRB P09619 1/20 0.35
KDR P35968 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL282378 0.87 AR (0.45) GAAPOLBGFERARALDH1A1
SCHEMBL282452 0.75 GAA (0.43) GAAPOLBGFERARMAPT
SCHEMBL18723690 0.73 TDP1 (0.47) GAAARTYMSDHFRMAPT
SCHEMBL20780317 0.73 GAA (0.47) GAAPOLBGFERALDH1A1HPGD
SCHEMBL282017 0.72 THRB (0.53) GAAPOLBGFERP2RX3P2RX2
SCHEMBL2973838 0.72 GAA (0.52) GAAPOLBGFERMAPTKDM4E
Hydrochloric Acid SCHEMBL8800518 0.71 THRB (0.52) GAAPOLBGFERP2RX3P2RX2
SCHEMBL6864460 0.71 THRB (0.48) GAAPOLBGFERMAPTKDM4E
SCHEMBL6690378 0.71 THRB (0.36) GAAPOLBGFERARTYMS
SCHEMBL7353139 0.70 THRB (0.40) MAPTKDM4EP2RX3P2RX2ALDH1A1

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
US-6723717-B1 CARDIAC-SPARING; SIDE EFFECT REDUCTION THE UNIVERSITY OF TEXAS SOUTHWESTERN MEDICAL CENTER 2004-04-20 US disclosed