SCHEMBL11412213

SCHEMBL11412213

N#CC(O)(O)c1ccccn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
AHR P35869 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
GLA P06280 1/20 0.38
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 1/20 0.36
LMNA P02545 2/20 0.36
P4HTM Q9NXG6 2/20 0.36
CYP1A2 P05177 1/20 0.36
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
METAP1 P53582 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL13342069 0.80 SMN1; SMN2 (0.54) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL14859517 0.80 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL2068478 0.80 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL7474039 0.77 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL6795553 0.76 SMN1; SMN2 (0.50) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL29650409 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL1238391 0.75 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL2454601 0.75 L3MBTL1 (1.00) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL4270539 0.75 L3MBTL1 (0.73) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1
SCHEMBL11171434 0.73 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1AHRKDM4EALDH1A1

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-4201710-A Azo dyes of the pyridone series useful for flowable printing inks BASF AKTIENGESELLSCHAFT (DE) 1980-05-06 US disclosed