SCHEMBL16701737

SCHEMBL16701737

CC1(C)CNC(=O)N1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.46
ADRB1 P08588 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 4/20 0.45
CRBN Q96SW2 2/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SCN2A Q99250 1/20 0.42
ACHE P22303 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PLEC Q15149 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CDC7 O00311 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 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
SCHEMBL8306096 0.81 MAPT (0.42) ADRB1LMNAMAPTPOLBALDH1A1
SCHEMBL16702384 0.79 DDB1 (0.42) MAPTCRBNPOLBALDH1A1HSD17B10
SCHEMBL6224475 0.79 MMP13 (0.40) LMNAMAPTCRBNALDH1A1GAA
SCHEMBL5379570 0.75 SIRT6 (0.45) SIRT6ADRB1LMNAMAPTCRBN
SCHEMBL16702064 0.72 AR (0.49) SIRT6ADRB1LMNAMAPTCRBN
SCHEMBL15533490 0.72 POLB (0.46) MAPTPOLBMEN1KMT2A
SCHEMBL6824323 0.71 SIRT6 (0.56) SIRT6ADRB1LMNAMAPTCRBN
SCHEMBL9729979 0.70 PARL (0.45) SIRT6ADRB1LMNAMAPTCRBN
SCHEMBL14843988 0.70 CHRNB2 (0.43)
SCHEMBL6818839 0.69 CTSG (0.42) SIRT6ADRB1LMNAMAPTCRBN

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
EP-3066098-A1 SUBSTITUTED URACILS AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2016-09-14 EP disclosed
WO-2015067630-A1 SUBSTITUTED URACILS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-14 WO disclosed