SCHEMBL3403322

SCHEMBL3403322

O=CCc1cc(Br)nc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 2/20 0.34
▸ GLA P06280 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ CASP1 P29466 1/20 0.34

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
SCHEMBL28025686 0.78 ELANE (0.47) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL12990293 0.75 CYP1A2 (0.40) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL29726892 0.71 BACE1 (0.44) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL1257332 0.71 BACE1 (0.44) ELANEKDM4EALDH1A1HPGDGAA
SCHEMBL15919425 0.70 ACACA (0.48) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL3397178 0.69 LOXL2 (0.58) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL8511566 0.68 MAOA (0.50) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL28807199 0.68 MYC (0.48) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL362901 0.68 CYP1A2 (0.64) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL1845788 0.68 NCF1 (0.60) KDM4EALDH1A1HPGDGAAKMT2A

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-2247584-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. Hoffmann-La Roche AG (CH) 2010-11-10 — — EP disclosed
WO-2009093049-A1 FUSED PYRIDINES ACTIVE AS INHIBITORS OF C-MET F. HOFFMANN-LA ROCHE AG (CH) 2009-07-30 — — WO disclosed
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