SCHEMBL11039735

SCHEMBL11039735

O=[N+]([O-])c1[c]cc(Oc2c(F)cc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TTR P02766 1/20 0.38
PPOX P50336 1/20 0.38
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
NPBWR1 P48145 3/20 0.34
MCHR1 Q99705 2/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL11037953 0.92 ALDH1A1 (0.36) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11039095 0.82 HSPB1 (0.48) TDP1MEN1KMT2ATTRPPOX
SCHEMBL7876673 0.81 MEN1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9134954 0.80 TDP1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8693593 0.80 MEN1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9332004 0.77 TDP1 (0.45) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9199456 0.77 MEN1 (0.50) TDP1MEN1KMT2ATTRPPOX
SCHEMBL8693586 0.77 MEN1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL9331767 0.77 TDP1 (0.47) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10989892 0.77 MAPT (0.41) MEN1KMT2AALDH1A1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0034402-B1 METHOD OF PREPARING FLUORINE-SUBSTITUTED DIPHENYL ETHER DERIVATIVES AND FLUORINE-SUBSTITUTED HALOGENO BENZENE DERIVATIVES FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-29 EP disclosed
US-4384135-A REACTING A SUBSTITUTED BENZOTRIFLUORIDE WITH A SUBSTITUTED PHENOL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-17 US disclosed
EP-0034402-A2 Method of preparing fluorine-substituted diphenyl ether derivatives and fluorine-substituted halogeno benzene derivatives for use therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 EP disclosed