SCHEMBL7542243

SCHEMBL7542243

COc1nc(C)cnc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
KDM4E B2RXH2 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR35 Q9HC97 1/20 0.36
CCR4 P51679 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SIRT6 Q8N6T7 1/20 0.33
EDNRA P25101 1/20 0.33
PIN1 Q13526 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.33
KMO O15229 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 1/20 0.33
HCAR2 Q8TDS4 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
SCHEMBL7541379 0.84 NPSR1 (0.47) POLBKDM4EL3MBTL1CCR4ALDH1A1
SCHEMBL3170311 0.84 POLB (0.42) POLBCCR4SIRT6EDNRA
SCHEMBL7547389 0.82 KDM4E (0.41) TDP1KDM4EKMT2AALDH1A1HPGD
SCHEMBL10328705 0.81 POLB (0.51) POLBTDP1KDM4EMEN1KMT2A
SCHEMBL14780231 0.80 MEN1 (0.44) POLBTDP1CCR4MEN1KMT2A
SCHEMBL7543209 0.80 ALDH1A1 (0.43) L3MBTL1ALDH1A1HPGDHSD17B10MAPT
SCHEMBL27872630 0.78 PDE10A (0.41) POLBTDP1KDM4EKMT2A
SCHEMBL29432473 0.78 ALDH1A1 (0.41) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6100470 0.78 ALDH1A1 (0.41) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL5767151 0.76 NPSR1 (0.47) KDM4EL3MBTL1MEN1KMT2AALDH1A1

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
EP-0889038-B1 Process for the preparation of alkoxy-or aryloxypyrazine derivatives LONZA AG (CH) 2002-05-29 EP claimed