SCHEMBL22080023

SCHEMBL22080023

Cc1cc(Cc2cc(C#N)cc(-n3n4c5ccccc5n34)c2O)c(O)c(-n2n3c4ccccc4n23)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.37
▸ HSPA5 P11021 1/20 0.34
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ IDH1 O75874 3/20 0.33
▸ TTR P02766 2/20 0.32
▸ ALB P02768 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL13927493 0.88 AMY1A (0.46) AMY1AHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL12733211 0.82 AMY1A (0.41) AMY1AHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL13840732 0.80 BCL2 (0.46) AMY1AIDH1
SCHEMBL12733203 0.78 HSPA5 (0.63) AMY1AHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL14607286 0.78 GABRA1 (0.37) AMY1ACYP2C19IDH1MEN1KMT2A
SCHEMBL13879921 0.77 AMY1A (0.37) AMY1AHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL12733208 0.74 HSPA5 (0.54) AMY1AHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL13683238 0.73 ALDH1A1 (0.39) SMN1; SMN2LMNAHTT
SCHEMBL12733199 0.72 HSPA5 (0.41) AMY1AHSPA5CYP2C9CYP2C19HIF1A
SCHEMBL12733192 0.72 HSPA5 (0.57) AMY1AHSPA5CYP2C9CYP2C19HIF1A

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
US-20200181491-A1 COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2020-06-11 — — US disclosed
Send feedback