SCHEMBL6599439

SCHEMBL6599439

COc1ccc(-c2nc(N)c[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
GAA P10253 1/20 0.49
MPI P34949 1/20 0.49
GFER P55789 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
DYRK1A Q13627 3/20 0.47
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 2/20 0.45
PKM P14618 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
APP P05067 1/20 0.43

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
SCHEMBL27303996 0.81 HSD17B10 (0.53) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL10553981 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL11771726 0.80 KDM4E (0.50) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL20390576 0.79 NISCH (0.46) KDM4EALDH1A1NPC1SMN1; SMN2RAB9A
SCHEMBL15293725 0.79 KDM4E (0.49) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL10697621 0.78 KDM4E (0.59) KDM4EALDH1A1HPGDTDP1GAA
Hydrochloric Acid SCHEMBL10555133 0.77 KDM4E (0.47) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL10552598 0.77 PARP1 (0.51) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL10556612 0.76 KDM4E (0.46) KDM4EALDH1A1HPGDTDP1GAA
SCHEMBL10559417 0.76 KDM4E (0.48) KDM4EALDH1A1HPGDTDP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP claimed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 WO claimed
EP-1417178-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES Bayer CropScience AG (DE) 2004-05-12 EP disclosed
WO-2003004464-A2 HETEROCYCLIC AMIDE DERIVATIVES AND THE USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2003-01-16 WO disclosed
EP-0253084-A2 1,3-Disubstituted imidazolium salts F. HOFFMANN-LA ROCHE AG (CH) 1988-01-20 EP disclosed