SCHEMBL7876486

SCHEMBL7876486

FC(F)(F)c1cc(Br)c(Br)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.36
GLA P06280 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
KDM1A O60341 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
AHR P35869 1/20 0.33
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32

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
SCHEMBL1042718 0.88 NOTUM (0.38) NOTUMGLAPOLBGAATSHR
SCHEMBL2965251 0.87 NOTUM (0.41) NOTUMGLAPOLBGAATSHR
SCHEMBL12403122 0.83 GLA (0.34) NOTUMGLAPOLBGAATSHR
SCHEMBL1192688 0.81 CA12 (0.45) GLAPOLBGAATSHRKDM1A
SCHEMBL6754916 0.78 POLB (0.41) NOTUMGLAPOLBGAATSHR
SCHEMBL19612177 0.78 NOTUM (0.39) NOTUMGLAPOLBGAATSHR
SCHEMBL4768740 0.75 NOTUM (0.32) NOTUMCYP11B1CYP11B2
SCHEMBL4576842 0.75 CYP11B1 (0.38) NOTUMKDM1ACYP11B1CYP11B2
SCHEMBL7931473 0.73 APEX1 (0.38) NOTUMGLAPOLBGAATSHR
SCHEMBL7879902 0.73 APEX1 (0.38) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326517-B1 REACTIN AN AROMATIC COMPOUND WITH CARBON MONOXIDE AND AMMONIA CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-04 US disclosed
US-6268527-B1 REACTING TRIFLUOROMETHYL SUBSTITUTED AROMATIC COMPOUND WITH CARBON MONOXIDE AND HYDROXY COMPOUND IN PRESENCE OF METAL COMPOUND AND PHOSPHINE DERIVATIVE TO PRODUCE TRIFLUOROMETHYL SUBSTITUTED BENZOIC ACID DERIVATIVE CENTRAL GLASS COMPANY, LIMITED (JP) 2001-07-31 US disclosed