SCHEMBL27754201

SCHEMBL27754201

Cc1c(C(=O)O)cc(Br)c(C(F)F)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MYC P01106 2/20 0.33
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
TSHR P16473 1/20 0.33
LDHA P00338 2/20 0.32
LDHB P07195 2/20 0.32
GAA P10253 1/20 0.31
NR4A1 P22736 1/20 0.31
PTPN1 P18031 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL27851712 0.79 MEN1 (0.40) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL2226009 0.78 KMT2A (0.42) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL27577460 0.77 KMT2A (0.41) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL2498953 0.72 GRM1 (0.36) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL14989153 0.71 KDM4E (0.50) KMT2AMEN1KDM4ETDP1HSD17B10
SCHEMBL20142067 0.70 GAA (0.55) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL23243566 0.69 MEN1 (0.41) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL27820354 0.69 LCK (0.40) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL29570475 0.69 MEN1 (0.41) KMT2AMEN1KDM4ETDP1LCK
SCHEMBL15259689 0.69 KDM4E (0.41) KMT2AMEN1KDM4ETDP1LCK

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
CN-101389625-A Herbicidal isoxazoline compounds SYNGENTA LTD (GB) 2009-03-18 CN disclosed