SCHEMBL28340993

SCHEMBL28340993

COc1cccc(OC)c1OC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[KH]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
NFE2L2 Q16236 7/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43

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
SCHEMBL16569577 0.98 SMN1; SMN2 (0.52) SMN1; SMN2CA12CA1CA2CA4
Nitrogen SCHEMBL28211174 0.91 SMN1; SMN2 (0.47) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL25434306 0.87 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL27753904 0.87 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL151213 0.87 CA1 (0.61) SMN1; SMN2CA12CA1CA2CA4
SCHEMBL27731704 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA4
Bromide SCHEMBL28158222 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA4
Ammonia Solution, Strong SCHEMBL4268652 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL31658961 0.85 SMN1; SMN2 (0.58) SMN1; SMN2CA12CA1CA2CA4
Bromide SCHEMBL1307432 0.82 SMN1; SMN2 (0.56) SMN1; SMN2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218717-B Method for preparing asymmetric terphenyl compound by using bromoarylsulfonyl fluoride 遵义医科大学 2020-01-07 CN disclosed