SCHEMBL4624402

SCHEMBL4624402

Nc1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(Oc3ccc(N)c(O)c3)c2F)cc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MMP2 P08253 1/20 0.34
MMP14 P50281 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
NR4A1 P22736 1/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
THRB P10828 4/20 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
SCHEMBL7656090 0.89 HTT (0.44) MMP2MMP14HSD17B10TSHRSMN1; SMN2
SCHEMBL7714315 0.86 MAPT (0.50) MAPTPOLBHSP90AA1MMP2MMP14
SCHEMBL4622978 0.82 MAPT (0.46) MAPTPOLBHSP90AA1MMP2MMP14
SCHEMBL8148126 0.81 MAPT (0.41) MAPTPOLBHSP90AA1HSD17B10NR4A1
SCHEMBL8371684 0.81 MMP2 (0.41) MAPTPOLBHSP90AA1MMP2SMN1; SMN2
SCHEMBL8371687 0.80 LMNA (0.38) MAPTKDM4ESMN1; SMN2CRHBPCRHR2
SCHEMBL7551329 0.78 MAPT (0.42) MAPTPOLBHSP90AA1MMP2MMP14
SCHEMBL6849207 0.78 MAPT (0.42) MAPTPOLBHSP90AA1MMP2MMP14
SCHEMBL4623369 0.77 MAPT (0.41) MAPTPOLBHSP90AA1MMP2MMP14
SCHEMBL8137368 0.77 MAPT (0.38) MAPTPOLBHSP90AA1NR4A1KDM4E

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-0918050-B1 Bis-o-amino(thio)phenols and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 EP disclosed
US-6156902-A Bis-o-amino (thio) phenols, and their preparation INFINEON TECHNOLOGIES AG (DE) 2000-12-05 US disclosed
EP-0918050-A1 Bis-o-amino(thio)phenols and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-05-26 EP disclosed
EP-0905169-A2 Precursors of polybenzoxazoles and polybenzothiazoles SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 EP disclosed