SCHEMBL21852154

SCHEMBL21852154

CSc1ccnc2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
PTPN11 Q06124 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 3/20 0.33
GRM4 Q14833 1/20 0.33
PARP1 P09874 1/20 0.33
ACHE P22303 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21919491 0.80 MEN1 (0.35) NOS3NOS1NOS2PTPN11LMNA
SCHEMBL9089007 0.77 GRM4 (0.36) NOS3NOS1NOS2PTPN11GRM4
SCHEMBL795349 0.75 NOS3 (0.44) NOS3NOS1NOS2GRM4ACHE
SCHEMBL12128538 0.75 HTR2C (0.32) PARP1
SCHEMBL24283716 0.74 NOS3 (0.42) NOS3NOS1NOS2GRM4ACHE
SCHEMBL25771760 0.74 NOS3 (0.42) NOS3NOS1NOS2GRM4ACHE
SCHEMBL19005861 0.74 NOS3 (0.42) NOS3NOS1NOS2GRM4ACHE
SCHEMBL28217559 0.73 GRM4 (0.47) NOS3NOS1NOS2LMNAGRM4
SCHEMBL795850 0.71 GRM4 (0.40) NOS3NOS1NOS2GRM4ACHE
SCHEMBL27549216 0.71 NOS3 (0.40) NOS3NOS1NOS2LMNAGAA

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-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed