SCHEMBL9428463

SCHEMBL9428463

COC(=O)c1noc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MAPT P10636 3/20 0.54
PTGS1 P23219 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GPBAR1 Q8TDU6 1/20 0.47
PTGS2 P35354 1/20 0.47
RORC P51449 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPY1R P25929 1/20 0.44
NPY2R P49146 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL9429944 0.89 KDM4E (0.53) KDM4EMAPTMEN1KMT2AHIF1A
SCHEMBL9429412 0.88 HIF1A (0.56) KDM4EMAPTPTGS1HIF1ACYP1A2
SCHEMBL9428554 0.85 PTGS1 (0.50) MAPTPTGS1CYP1A2CYP2C9CYP2C19
SCHEMBL9429463 0.84 PTGS2 (0.52) PTGS1PTGS2RORCSMN1; SMN2
SCHEMBL9429668 0.80 HIF1A (0.57) KDM4EMAPTPTGS1HIF1ACYP1A2
SCHEMBL2565690 0.79 PTGS1 (0.65) KDM4EMAPTPTGS1MEN1KMT2A
SCHEMBL9429341 0.76 MAPT (0.58) MAPTRORCSMN1; SMN2NPC1RAB9A
SCHEMBL9429300 0.75 SMN1; SMN2 (0.52) PTGS2RORCSMN1; SMN2
SCHEMBL9428655 0.75 PTGS2 (0.51) MAPTMEN1KMT2APTGS2SMN1; SMN2
SCHEMBL12000495 0.73 PTGS1 (0.60) KDM4EMAPTPTGS1ALDH1A1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5328907-A Treatment of allograft rejection in mammals and antiinflammatory agents SYNTEX (U.S.A.) INC. (US) 1994-07-12 US disclosed
US-5108999-A For treating inflammation, autoimmune disease or allograft rejection in mammals SYNTEX (U.S.A.) INC. (US) 1992-04-28 US disclosed