SCHEMBL7795677

SCHEMBL7795677

Nc1c(O)c(F)c(Oc2ccc(C(c3ccc(Oc4c(F)c(O)c(N)c(F)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
HSD17B10 Q99714 1/20 0.37
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
HPGD P15428 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
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
Questiomycin B SCHEMBL8379961 0.90 MAPT (0.36) ESR1ESR2HSD17B10MAPTPOLB
SCHEMBL26037688 0.89 MAPT (0.39) ESR1ESR2HSD17B10MAPTPOLB
SCHEMBL26037438 0.82 MAPT (0.34) ESR1ESR2HSD17B10MAPTPOLB
SCHEMBL10013732 0.78 ESR1 (0.39) ESR1ESR2HSD17B10MAPTPOLB
SCHEMBL7788600 0.77 ESR1 (0.36) ESR1ESR2HSD17B10MAPTHPGD
SCHEMBL7804231 0.75 HPGD (0.56) HSD17B10CA12CA1CA2CA7
SCHEMBL2129997 0.73 HPGD (0.42) ESR1ESR2HSD17B10MAPTCA12
SCHEMBL13843390 0.73 ESR1 (0.49) ESR1ESR2HSD17B10CA12CA1
SCHEMBL18879536 0.73 ESR1 (0.49) ESR1ESR2HSD17B10MAPTHPGD
SCHEMBL7552402 0.73 MAPT (0.35) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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