SCHEMBL8999979

SCHEMBL8999979

O=[N+]([O-])c1cc(Br)cc(CF)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.41
CYP19A1 P11511 1/20 0.40
ALOX5 P09917 1/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 3/20 0.38
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
ESPL1 Q14674 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34

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
SCHEMBL11693112 0.86 CYP19A1 (0.48) CYP19A1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL27274748 0.86 CYP19A1 (0.54) CYP19A1ALDH1A1CYP3A4TSHRPOLB
SCHEMBL29735419 0.82 ACP1 (0.42) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL602087 0.82 ACP1 (0.42) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL12671464 0.81 TSHR (0.55) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL600500 0.81 ACP1 (0.44) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL31434425 0.81 ACP1 (0.44) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL8570170 0.81 HTT (0.48) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL28421376 0.79 ACP1 (0.43) ACP1CYP19A1ALOX5ALDH1A1CYP3A4
SCHEMBL1026447 0.79 CYP19A1 (0.62) ACP1CYP19A1ALDH1A1CYP3A4TSHR

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
CN-102153430-B Preparation method for fluoride aromatic organic compound JIANGSU WEIER CHEMICAL CO LTD 2014-12-31 CN disclosed
CN-102153430-A Preparation method for fluoride aromatic organic compound JIANGSU WEIER CHEMICAL CO LTD 2011-08-17 CN disclosed
US-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed