SCHEMBL4034561

SCHEMBL4034561

Cn1cnnc1NC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
ADORA1 P30542 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
WHR1 P49842 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HIF1A Q16665 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MALT1 Q9UDY8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL22761167 0.70
SCHEMBL22827234 0.67 GAA (0.37) POLBCYP1A2HSD17B10HIF1AALDH1A1
SCHEMBL3538235 0.65
SCHEMBL3540174 0.65
SCHEMBL15219344 0.64 GSK3B (0.42) SMN1; SMN2KDM4E
SCHEMBL9601295 0.60 F13A1 (0.37) CYP1A2ADORA1HSD17B10HIF1A
SCHEMBL1545231 0.60 ALDH1A1 (0.46) SMN1; SMN2CYP1A2CYP3A4TSHRKDM4E
SCHEMBL13813497 0.59 PDE7A (0.33) SMN1; SMN2ADORA1ALDH1A1PDE7A
SCHEMBL12852023 0.59 SMN1; SMN2 (0.31) SMN1; SMN2ALDH1A1
SCHEMBL21603635 0.58 SMN1; SMN2 (0.42) SMN1; SMN2PKMKDM4EHTTKMT2A

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-2079728-A1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES Amgen Inc. (US) 2009-07-22 EP disclosed
WO-2008045484-A1 N-ARYL PYRAZOLE COMPOUNDS FOR USE AGAINST DIABETES AMGEN INC. (US) 2008-04-17 WO disclosed