SCHEMBL8856902

SCHEMBL8856902

O=C(O)c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 4/20 0.58
EDNRA P25101 4/20 0.58
HDAC6 Q9UBN7 4/20 0.55
HDAC1 Q13547 3/20 0.55
TP53 P04637 1/20 0.50
S1PR5 Q9H228 1/20 0.49
FOLH1 Q04609 1/20 0.49
SERPINE1 P05121 4/20 0.48
CCR2 P41597 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MAPK8 P45983 1/20 0.46

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
SCHEMBL8545345 0.91 EDNRB (0.69) EDNRBEDNRAS1PR5SERPINE1MAPK8
SCHEMBL2808240 0.84 SERPINE1 (0.57) EDNRBEDNRAHDAC6SERPINE1NR4A1
SCHEMBL5419800 0.80 SERPINE1 (0.66) EDNRBEDNRAHDAC6HDAC1FOLH1
SCHEMBL4711435 0.80 MAPK8 (0.66) EDNRBEDNRAMAPK8
SCHEMBL8643680 0.79 EDNRA (0.78) EDNRBEDNRA
SCHEMBL8857009 0.78 MCL1 (0.58) EDNRBEDNRATP53FOLH1
SCHEMBL27361848 0.77 EDNRB (0.54) EDNRBEDNRAHDAC6HDAC1FOLH1
SCHEMBL5426724 0.77 EDNRB (0.52) EDNRBEDNRAHDAC6HDAC1FOLH1
SCHEMBL19133588 0.76 EDNRB (0.59) EDNRBEDNRAHDAC6HDAC1FOLH1
SCHEMBL9023540 0.76 EDNRB (0.54) EDNRBEDNRATP53SERPINE1CCR2

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-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed