SCHEMBL4743418

SCHEMBL4743418

[c]1cc2ccccc2nc1-c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.50
ALDH1A1 P00352 8/20 0.50
HPGD P15428 7/20 0.50
HSD17B10 Q99714 6/20 0.50
TDP1 Q9NUW8 5/20 0.50
POLB P06746 5/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
BLM P54132 4/20 0.50
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 4/20 0.50
TSHR P16473 4/20 0.50
PKM P14618 3/20 0.50
ALOX15 P16050 3/20 0.50
RECQL P46063 3/20 0.50
CASP1 P29466 2/20 0.50
PTPN7 P35236 2/20 0.50
CASP7 P55210 2/20 0.50
ALOX5 P09917 1/20 0.44
USP2 O75604 2/20 0.42

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
SCHEMBL577970 0.74 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL2996550 0.72 PDE10A (0.40) KDM4EALDH1A1HPGDTDP1MAPT
SCHEMBL382679 0.69 RAB9A (0.47) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL6448031 0.69 ALDH1A1 (0.43) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3344845 0.69 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL16720376 0.68 NPC1 (0.50) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1091953 0.68 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL27734202 0.67 MEN1 (1.00) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL529257 0.67 ALDH1A1 (0.42) KDM4EALDH1A1HPGDHSD17B10TDP1
SCHEMBL3422756 0.67 CYP1A2 (0.54) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008103357-A1 FUNGICIDAL TRICYCLIC 1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-08-28 WO disclosed