SCHEMBL30465795

SCHEMBL30465795

Nc1cccc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 1.00
MEN1 O00255 5/20 0.68
KMT2A Q03164 5/20 0.68
RAB9A P51151 2/20 0.68
NOS3 P29474 2/20 0.54
NOS1 P29475 1/20 0.54
ADORA2A P29274 3/20 0.52
ADORA1 P30542 2/20 0.52
HSP90AA1 P07900 2/20 0.52
AURKA O14965 1/20 0.52
PRKACA P17612 1/20 0.52
ALDH1A1 P00352 6/20 0.48
PDPK1 O15530 1/20 0.47
MAPT P10636 4/20 0.47
KDM4E B2RXH2 4/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
APP P05067 1/20 0.46
BACE1 P56817 1/20 0.46
NPC1 O15118 1/20 0.45

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
SCHEMBL1039866 1.00 ASIC3 (1.00) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL9275978 0.96 ASIC3 (0.91) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL12176988 0.87 ASIC3 (0.77) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL12443810 0.84 ASIC3 (0.72) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL21190506 0.82 ASIC3 (0.69) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL901898 0.82 ASIC3 (0.69) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL29601960 0.82 ASIC3 (0.68) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL1073895 0.82 ASIC3 (0.68) ASIC3MEN1KMT2ARAB9ANOS3
SCHEMBL58442 0.82 MEN1 (1.00) ASIC3MEN1KMT2ARAB9AADORA2A
SCHEMBL23110562 0.80 ASIC3 (0.67) ASIC3MEN1KMT2ARAB9ANOS3

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-2023122754-A1 PROCESSES AND INTERMEDIATES FOR PREPARING GB13, GB22 AND HIMGALINE THE SCRIPPS RESEARCH INSTITUTE (US) 2023-06-29 WO disclosed