SCHEMBL31069019

SCHEMBL31069019

Cc1ccc(C2=NOCC2)cc1Oc1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
LTA4H P09960 1/20 0.36
HTR2A P28223 8/20 0.35
SLC6A4 P31645 8/20 0.35
KCNH2 Q12809 7/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
TEAD1 P28347 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL22776108 0.75 NOTUM (0.47) SMN1; SMN2HTR2ACYP1A2MAPTKDM4E
SCHEMBL15354404 0.72 HTR2A (0.54) CHEK2SMN1; SMN2HPGDHTR2ASLC6A4
SCHEMBL4876521 0.72 MAPK13 (0.34) SMN1; SMN2HPGDLMNALTA4HCYP1A2
SCHEMBL28896993 0.68 CLK4 (0.44) SMN1; SMN2HPGDLMNAMAPTKDM4E
SCHEMBL22719935 0.67 KDM4E (0.43) SMN1; SMN2HPGDHTR2ASLC6A4KCNH2
SCHEMBL29899213 0.67 CHRNB4 (0.51) SMN1; SMN2HPGDKCNH2MAPTALDH1A1
SCHEMBL30594257 0.65 MAOB (0.39) SMN1; SMN2HPGDLMNAHTR2AMAPT
SCHEMBL22719503 0.65 TEAD1 (0.73) SMN1; SMN2HPGDLMNATEAD1MAPT
SCHEMBL22719849 0.65 TEAD1 (0.73) SMN1; SMN2HPGDLMNATEAD1MAPT
SCHEMBL22719501 0.65 TEAD1 (0.73) SMN1; SMN2HPGDLMNATEAD1MAPT

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-2024176130-A1 TEAD- AND HER2-INHIBITOR COMBINATIONS FOR TREATING CANCER NOVARTIS AG (CH) 2024-08-29 WO disclosed