SCHEMBL26071045

SCHEMBL26071045

Nc1[nH]nnc1-c1cccc(OCc2ccc3occc3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.45
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PRKDC P78527 1/20 0.38
IGF1R P08069 4/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PPARG P37231 1/20 0.37
KMT2A Q03164 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
SLC6A4 P31645 1/20 0.37
MAOA P21397 4/20 0.36
MAOB P27338 4/20 0.36

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
SCHEMBL18006414 0.85 MRGPRX4 (0.43) MRGPRX4KDM4EMEN1ALDH1A1MAPT
SCHEMBL26070969 0.82 TAAR1 (0.43) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL26070957 0.80 MRGPRX4 (0.44) MRGPRX4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL26071049 0.79 NOS1 (0.41) IGF1R
SCHEMBL26070984 0.78 IGF1R (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL26071081 0.77 CYSLTR2 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL26071031 0.77 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL26071092 0.77 IGF1R (0.39) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL26071035 0.76 CYP4F2 (0.46) MRGPRX4MAOAMAOB
SCHEMBL26070912 0.76 IGF1R (0.45) MRGPRX4PIK3CDPIK3CAPIK3CBPIK3CG

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed