SCHEMBL15467341

SCHEMBL15467341

O=C(O)Oc1cccnc1-c1ccnc(-c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.41
SMO Q99835 2/20 0.40
TGFBR1 P36897 2/20 0.39
LMNA P02545 1/20 0.39
METAP2 P50579 1/20 0.39
METAP1 P53582 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR1 P21554 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
KMO O15229 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37

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
SCHEMBL15467926 0.78 KDM4E (0.59) ASIC3SMOTGFBR1LMNAKDM4E
SCHEMBL5702580 0.78 KDM4E (0.50) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL9233795 0.71 LDHA (0.49) HDAC6ALDH1A1KMONPC1
SCHEMBL21692157 0.71 ASIC3 (0.65) ASIC3SMOTGFBR1LMNAKDM4E
SCHEMBL23278748 0.70 TOP1 (0.53) ASIC3TGFBR1ALDH1A1NPC1CDK1
SCHEMBL15567982 0.69 KMO (0.45) SMOLMNAMETAP2METAP1HDAC6
SCHEMBL912763 0.69 ASIC3 (0.63) ASIC3SMOTGFBR1KDM4EALDH1A1
SCHEMBL29578028 0.69 ASIC3 (0.63) ASIC3SMOTGFBR1KDM4EALDH1A1
SCHEMBL10873387 0.69 LMNA (0.41) LMNAMETAP2METAP1HDAC6KDM4E
SCHEMBL24291931 0.68 ASIC3 (0.61) ASIC3SMOTGFBR1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2882735-A1 HERBICIDALLY ACTIVE 2'-PHENYL-2,4'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2015-06-17 EP claimed
WO-2014023669-A1 HERBICIDALLY ACTIVE 2'-PHENYL-2,4'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-02-13 WO claimed
EP-2882735-A1 HERBICIDALLY ACTIVE 2'-PHENYL-2,4'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2015-06-17 EP disclosed
EP-2882735-A1 HERBICIDALLY ACTIVE 2'-PHENYL-2,4'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES Bayer CropScience AG (DE) 2015-06-17 EP disclosed
WO-2014023669-A1 HERBICIDALLY ACTIVE 2'-PHENYL-2,4'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-02-13 WO disclosed
WO-2014023669-A1 HERBICIDALLY ACTIVE 2'-PHENYL-2,4'-BIPYRIDINE-3-CARBOXYLIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2014-02-13 WO disclosed