SCHEMBL11084003

SCHEMBL11084003

Cc1csc2nc3ccc(F)cc3c(=O)n12

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.66
ALDH1A1 P00352 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
GLA P06280 1/20 0.56
PKM P14618 1/20 0.51
TDO2 P48775 3/20 0.45
IDO2 Q6ZQW0 2/20 0.45
IDO1 P14902 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RCE1 Q9Y256 1/20 0.45
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CASP3 P42574 1/20 0.42
PIK3CD O00329 2/20 0.41
RXFP1 Q9HBX9 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL10978164 0.80 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10922842 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10924226 0.79 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL2777859 0.77 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10GLA
Iodide SCHEMBL2777739 0.75 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL10696506 0.72 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10GLA
Bromide SCHEMBL11085283 0.71 ALDH1A1 (0.60) KDM4EALDH1A1HPGDHSD17B10GLA
SCHEMBL9919072 0.70 POLB (0.55) GLATDO2IDO2IDO1POLB
SCHEMBL15538380 0.69 KDM4E (0.61) KDM4EALDH1A1GLAPKMTDO2
SCHEMBL974407 0.69 PIK3CD (0.47) KDM4EALDH1A1HPGDHSD17B10GLA

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
US-4486221-A POSTEMERGENCE HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1984-12-04 US claimed