SCHEMBL26070951

SCHEMBL26070951

Nc1[nH]nnc1-c1cccc(OCCc2cccc(Cl)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.42
MAOB P27338 2/20 0.41
IGF1R P08069 1/20 0.38
BACE1 P56817 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
HTR6 P50406 1/20 0.38
DHFR P00374 4/20 0.38
TAAR1 Q96RJ0 2/20 0.38
GP6 Q9HCN6 1/20 0.37
SLC9A3 P48764 1/20 0.37
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 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
SCHEMBL26071070 0.89 SMN1; SMN2 (0.45) LMNAMAPK1HTTSMN1; SMN2DHFR
SCHEMBL18006355 0.84 MAOB (0.39) SIRT2MAOBLMNAMAPK1HTT
SCHEMBL26070995 0.84 KDM4E (0.42) SIRT2MAOBIGF1RSMN1; SMN2TAAR1
SCHEMBL26070928 0.81 KDM4E (0.37) BACE1SMN1; SMN2TAAR1GP6KDM4E
SCHEMBL26070926 0.77 TTK (0.52) LMNAMAPK1SMN1; SMN2TAAR1KDM4E
SCHEMBL26070999 0.77 SIRT2 (0.43) SIRT2MAOBIGF1RSMN1; SMN2TAAR1
SCHEMBL26071072 0.76 SLC22A12 (0.40) IGF1RBACE1HTR6DHFR
SCHEMBL26070997 0.75 KDM4E (0.40) IGF1RSMN1; SMN2DHFRKDM4E
SCHEMBL26071027 0.75 SIRT2 (0.39) SIRT2MAOBBACE1LMNASMN1; SMN2
SCHEMBL18004881 0.74 GPR84 (0.39) SIRT2MAOBBACE1GP6KDM4E

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