SCHEMBL4624017

SCHEMBL4624017

Nc1c(O)c(F)c(Oc2cc(Oc3c(F)c(O)c(N)c(F)c3F)ncn2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 12/20 0.36
FEN1 P39748 12/20 0.36
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 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
SCHEMBL7552402 0.78 MAPT (0.35) MAPTPOLBHSP90AA1KDM4ECRHBP
SCHEMBL4750265 0.78 MAPT (0.35) MAPTPOLBHSP90AA1KDM4ECRHBP
SCHEMBL7797309 0.74 MAPT (0.36) MAPTPOLBKDM4E
SCHEMBL4622980 0.72 KDM4E (0.32) MAPTKDM4ECRHBPCRHR2
SCHEMBL7551329 0.68 MAPT (0.42) MAPTPOLBHSP90AA1KDM4ECRHBP
SCHEMBL6757630 0.66 HSD17B10 (0.38)
SCHEMBL6849054 0.66
Hydrochloric Acid SCHEMBL6756049 0.65 HSD17B10 (0.37)
SCHEMBL7804231 0.64 HPGD (0.56) ALOX5APFEN1
SCHEMBL7795677 0.63 ESR1 (0.41) MAPTPOLBHSP90AA1KDM4ECRHBP

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905169-B1 Precursors of polybenzoxazoles and polybenzothiazoles INFINEON TECHNOLOGIES AG (DE) 2008-04-02 EP disclosed
EP-0906903-B1 Bis-o-amino(thio)phenols and their preparartion INFINEON TECHNOLOGIES AG (DE) 2001-12-12 EP disclosed
US-6150558-A Bis-o-amino(thio)phenols, and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
EP-0906903-A2 Bis-o-amino(thio)phenols and their preparartion SIEMENS AKTIENGESELLSCHAFT (DE) 1999-04-07 EP disclosed
EP-0905169-A2 Precursors of polybenzoxazoles and polybenzothiazoles SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed