SCHEMBL8922894

SCHEMBL8922894

CCOC(=O)c1cn(C(C)(C)CF)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.47
STAT3 P40763 2/20 0.46
HTT P42858 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 1/20 0.40
MAPT P10636 3/20 0.40
ADRB2 P07550 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL500872 0.91 KMT2A (0.63) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7489676 0.83 ALDH1A1 (0.47) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9383778 0.82 KMT2A (0.67) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9382762 0.81 KMT2A (0.73) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7128071 0.81 KMT2A (0.76) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1243458 0.80 KMT2A (0.60) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23515052 0.79 KMT2A (0.63) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29744456 0.79 KMT2A (0.63) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15282130 0.79 KMT2A (0.73) KMT2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10471206 0.79 KMT2A (0.73) KMT2AALDH1A1KDM4EHPGDHSD17B10

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-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed