SCHEMBL28828282

SCHEMBL28828282

Cc1c(C(=O)O)cc(Cl)c(N)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 3/20 0.47
TDP1 Q9NUW8 3/20 0.47
MEN1 O00255 2/20 0.47
MYC P01106 1/20 0.40
NR4A1 P22736 1/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
NOTUM Q6P988 1/20 0.37
HAVCR2 Q8TDQ0 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
CASP1 P29466 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37

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
SCHEMBL10354535 0.83 KDM4E (0.48) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL27558948 0.82 MEN1 (0.42) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL27916176 0.81 MEN1 (0.41) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL9305599 0.81 KDM4E (0.55) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL28030639 0.79 DPP4 (0.53) KDM4EKMT2ATDP1MEN1ALDH1A1
SCHEMBL8467731 0.79 MYC (0.43) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL4314431 0.77 KDM4E (0.50) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL27659507 0.76 KDM4E (0.46) KDM4EKMT2ATDP1MEN1ALDH1A1
SCHEMBL10625931 0.76 CYP3A4 (0.48) KDM4EKMT2ATDP1MEN1MYC
SCHEMBL27281805 0.76 KDM4E (0.48) KDM4EKMT2ATDP1MEN1MYC

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-103827102-B Substituted picolinic and pyrimidine-4-carboxylic acids, process for their preparation and their use as herbicides and plant growth regulators BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-27 CN disclosed