SCHEMBL5237128

SCHEMBL5237128

O=C(O)Oc1cc2cc(F)cc(F)c2o1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ERN1 O75460 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDPK1 O15530 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
APEX1 P27695 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
DAO P14920 1/20 0.30

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
SCHEMBL5230844 0.83 GPR35 (0.39) MAPTALDH1A1HPGD
SCHEMBL5233431 0.80 CA12 (0.44) KMT2ACES2CES1ALDH1A1LMNA
SCHEMBL5230393 0.75 CA12 (0.42) MAPTKMT2AKDM4EPDPK1ALDH1A1
SCHEMBL2895230 0.73 PIM1 (0.45) MAPTKMT2AKDM4EDAO
SCHEMBL5233191 0.71 GPR35 (0.54) MAPTKMT2AKDM4EALDH1A1HPGD
SCHEMBL1819697 0.71 SLC16A3 (0.39) GAAKMT2AKDM4EPDPK1ALDH1A1
SCHEMBL9069002 0.69 GPR35 (0.62) ALDH1A1LMNAHPGDTSHRHSD17B10
SCHEMBL19546521 0.69 CES2 (0.41) GAAKMT2ACES2CES1ERN1
SCHEMBL3364697 0.68 GPR35 (0.45)
SCHEMBL20559444 0.68 MAPT (0.44) MAPTGAAKMT2AKDM4EALDH1A1

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
EP-1461335-B1 2-HETEROARYLCARBOXYLIC ACID AMIDES BAYER HEALTHCARE AG (DE) 2007-02-28 EP disclosed