SCHEMBL3719210

SCHEMBL3719210

COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC[C@@H](O)CN)ccc3c2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ RAB9A P51151 1/20 0.62
▸ KMT2A Q03164 4/20 0.56
▸ MEN1 O00255 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ GAA P10253 2/20 0.44
▸ AR P10275 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL3719452 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3719213 1.00 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3716320 0.85 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3723950 0.79 LMNA (0.76) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3725470 0.79 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3798487 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3717844 0.76 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3723178 0.76 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3719168 0.73 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1NPC1HTTRAB9A
SCHEMBL3720219 0.73 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1NPC1HTTRAB9A

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
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