SCHEMBL6201873

SCHEMBL6201873

O=C(NNc1ccc(Cl)cc1)Oc1cnc2c(F)cc(I)cc2c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.34
GAA P10253 3/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
PTGS2 P35354 3/20 0.33
AURKA O14965 1/20 0.32
MEN1 O00255 1/20 0.32
HSPD1 P10809 1/20 0.32
PNLIP P16233 1/20 0.32
PIK3CA P42336 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
HSPE1 P61604 1/20 0.32
KMT2A Q03164 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.31
NLRP3 Q96P20 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
SCHEMBL6198759 0.88 GAA (0.38) GAAALDH1A1LMNAPTGS2AURKA
SCHEMBL6202705 0.85 GAA (0.36) GAAALDH1A1LMNAPTGS2AURKA
SCHEMBL6203097 0.84 GAA (0.44) GAAALDH1A1LMNAPTGS2AURKA
SCHEMBL6200932 0.82 GAA (0.41) TET2GAAALDH1A1LMNAPTGS2
SCHEMBL6198572 0.69 PTGS2 (0.44) GAAALDH1A1LMNAPTGS2MAPT
SCHEMBL6196896 0.69 EGLN1 (0.47) ALDH1A1LMNAMEN1HTTKMT2A
SCHEMBL6198567 0.67 GAA (0.43) GAAALDH1A1LMNAPTGS2KMT2A
SCHEMBL6200560 0.65 GAA (0.52) GAAALDH1A1LMNAPTGS2MAPT
SCHEMBL27471079 0.65 TET2 (0.40) TET2KDM4E
SCHEMBL27433136 0.64 TET2 (0.40) TET2

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-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed