SCHEMBL6651329

SCHEMBL6651329

CN(C(=O)Oc1ccc2c(N)noc2c1)C(=O)Oc1ccc2c(N)noc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.44
▸ KMT2A Q03164 9/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ FAAH O00519 1/20 0.39
▸ MAP2K1 Q02750 2/20 0.38
▸ MEN1 O00255 7/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ F12 P00748 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ NCEH1 Q6PIU2 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ TSHR P16473 2/20 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
SCHEMBL6651331 0.93 LTB4R (0.42) LTB4RKMT2AALDH1A1FAAHMAP2K1
SCHEMBL9212284 0.81 ALDH1A1 (0.43) LTB4RKMT2AALDH1A1MAPK14RAB9A
SCHEMBL8377107 0.77 CYP1A2 (0.39) LTB4RALDH1A1MAPK14LMNAKDM4E
SCHEMBL6952286 0.76 CLK1 (0.50) LTB4RALDH1A1RAB9ALMNAKDM4E
SCHEMBL8377115 0.72 MEN1 (0.37) LTB4RKMT2AALDH1A1MEN1MAPK14
SCHEMBL21596857 0.72 HTR3A (0.47) LTB4RKMT2AALDH1A1MEN1RAB9A
SCHEMBL6089216 0.70 MAPT (0.51) LTB4RKMT2AALDH1A1MEN1MAPK14
SCHEMBL29652456 0.70 MAPT (0.51) LTB4RKMT2AALDH1A1MEN1MAPK14
SCHEMBL15145315 0.70 LTB4R (0.49) LTB4RALDH1A1
SCHEMBL6957651 0.70 LTB4R (0.47) LTB4R

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
EP-1448534-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE Pharmacia Corporation (US) 2004-08-25 — — EP disclosed
WO-2003029224-A1 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 — — WO disclosed
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