SCHEMBL22072095

SCHEMBL22072095

CC(=O)On1c(=O)c(C(=O)NCCN(C)C)nc2cc(C)c(C)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLR1A O95602 2/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ MUS81 Q96NY9 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ACSS2 Q9NR19 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ AOX1 Q06278 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ RAD52 P43351 1/20 0.34

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
SCHEMBL22071735 0.88 POLB (0.39) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22072305 0.86 BRD4 (0.36) POLBMAPTHTTKDM4E
SCHEMBL22071741 0.83 POLB (0.54) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22072087 0.83 POLB (0.43) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22072149 0.78 HPGD (0.41) POLBMAPTHTTSMN1; SMN2KDM4E
SCHEMBL22072182 0.77 SMN1; SMN2 (0.39) POLBMAPTHTTSMN1; SMN2KDM4E
SCHEMBL22071696 0.75 KDM4E (0.40) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22071697 0.75 MEN1 (0.42) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22071728 0.74 MEN1 (0.50) POLBMAPTHTTSMN1; SMN2POLR1A
SCHEMBL22071695 0.73 KDM4E (0.39) POLBMAPTHTTSMN1; SMN2POLR1A

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
WO-2020117974-A1 COMPOUNDS AND COMPOSITIONS FOR EYE TREATMENTS AVEDRO, INC. (US) 2020-06-11 — — WO disclosed
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