SCHEMBL26070909

SCHEMBL26070909

Nc1[nH]nnc1-c1cccc(OCc2ccc(-n3ccnc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP1A2 P05177 3/20 0.42
HRH3 Q9Y5N1 1/20 0.41
PDE4B Q07343 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP19A1 P11511 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C19 P33261 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL26070912 0.89 IGF1R (0.45) IGF1RMEN1KMT2AMAPTKDM4E
SCHEMBL18006329 0.86 PDE4B (0.41) CYP3A4CYP2D6CYP2C9CYP1A2HRH3
SCHEMBL26070984 0.80 IGF1R (0.42) IGF1RMEN1KMT2AMAPTKDM4E
SCHEMBL26071029 0.77 FFAR1 (0.39) IGF1RTSHRLMNA
SCHEMBL18006274 0.77 CYP2D6 (0.45) CYP3A4CYP2D6CYP2C9CYP1A2HRH3
SCHEMBL26070965 0.76 IGF1R (0.42) IGF1RSIRT2SIRT1SIRT3LMNA
SCHEMBL26071031 0.75 PIK3CD (0.39) IGF1RMEN1KMT2ALMNAMAPT
SCHEMBL26070969 0.75 TAAR1 (0.43) IGF1RSIRT1MEN1TSHRKMT2A
SCHEMBL26071092 0.75 IGF1R (0.39) IGF1RMEN1KMT2AMAPTKDM4E
SCHEMBL18006330 0.74 NAAA (0.40) IGF1RMEN1KMT2AMAPTKDM4E

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