SCHEMBL30120752

SCHEMBL30120752

COc1ccccc1-n1ncc(C(N)=O)c1N

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.74
SCN5A Q14524 2/20 0.64
SCN9A Q15858 2/20 0.64
RIPK2 O43353 1/20 0.58
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.46
BTK Q06187 1/20 0.46
RPS6KB1 P23443 1/20 0.46
UGCG Q16739 1/20 0.45
MAPT P10636 1/20 0.43
NR3C2 P08235 1/20 0.43

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
SCHEMBL1691413 1.00 MAPK14 (0.74) MAPK14SCN5ASCN9ARIPK2RAB9A
SCHEMBL18172045 0.89 MAPK14 (0.79) MAPK14SCN5ASCN9ARIPK2LMNA
SCHEMBL1691845 0.85 MAPK14 (0.56) MAPK14SCN5ASCN9ARIPK2RAB9A
SCHEMBL17844090 0.83 ALDH1A1 (0.67) MAPK14SCN5ASCN9ARAB9ALMNA
SCHEMBL1457162 0.82 MAPK14 (0.62) MAPK14SCN5ASCN9ALMNAALDH1A1
SCHEMBL169884 0.82 MAPK14 (0.55) MAPK14SCN5ASCN9ALMNASMN1; SMN2
SCHEMBL8034944 0.82 SCN9A (0.56) MAPK14SCN5ASCN9ARIPK2RAB9A
SCHEMBL971001 0.81 MAPK14 (0.72) MAPK14SCN5ASCN9ARIPK2RAB9A
SCHEMBL1691804 0.81 RIPK2 (0.67) MAPK14SCN5ASCN9ARIPK2RAB9A
SCHEMBL1691798 0.80 RIPK2 (0.61) MAPK14SCN5ASCN9ARIPK2RAB9A

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-4100015-A1 COMBINATION THERAPY FOR TREATING MPS1 Gain Therapeutics SA (CH) 2022-12-14 EP disclosed
CN-115397423-A Combination therapy for the treatment of MPS1 增益治疗股份有限公司 2022-11-25 CN disclosed