SCHEMBL3720219

SCHEMBL3720219

COc1ccc(Oc2c(C(F)(F)F)oc3cc(Oc4cccc(S(N)(=O)=O)c4)ccc3c2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ NPC1 O15118 2/20 0.59
▸ RAB9A P51151 2/20 0.59
▸ ESR1 P03372 2/20 0.54
▸ ESR2 Q92731 2/20 0.54
▸ LMNA P02545 3/20 0.48
▸ KMT2A Q03164 6/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ POLB P06746 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TTR P02766 1/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL3723178 0.92 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3719248 0.84 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3725470 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3719168 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3798487 0.79 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3717844 0.78 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3723950 0.77 LMNA (0.76) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3716178 0.74 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3719213 0.73 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HTTNPC1RAB9A
SCHEMBL3719210 0.73 SMN1; SMN2 (0.62) ALDH1A1SMN1; SMN2HTTNPC1RAB9A

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
WO-2010134082-A1 CHROMENONE DERIVATIVES FOR TREATMENT OF CANCER PROTEOLOGICS LTD (IL) 2010-11-25 — — WO disclosed
WO-2010134082-A1 CHROMENONE DERIVATIVES FOR TREATMENT OF CANCER PROTEOLOGICS LTD (IL) 2010-11-25 — — WO disclosed
Send feedback