SCHEMBL22444592

SCHEMBL22444592

c1ccc(CC2(Cc3ccccc3)COC(C3=NCCO3)=N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.35
KCNN4 O15554 1/20 0.34
MMP12 P39900 1/20 0.34
ADRA2A P08913 6/20 0.33
ADRA2B P18089 6/20 0.33
ADRA2C P18825 6/20 0.33
BACE1 P56817 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MYC P01106 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31

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
SCHEMBL28048750 0.80 LMNA (0.68) LMNASMN1; SMN2BACE1MAOAMAOB
SCHEMBL16475557 0.72 LMNA (0.79) LMNABACE1MAOAMAOBMYC
SCHEMBL21351777 0.66 KCNN4 (0.47) LMNASMN1; SMN2KCNN4MMP12ADRA2A
SCHEMBL84185 0.66 KCNN4 (0.47) LMNASMN1; SMN2KCNN4MMP12ADRA2A
SCHEMBL11244830 0.65 KDM4E (0.46) LMNA
SCHEMBL6987368 0.65 MAOA (0.37) LMNAMAOAMAOB
SCHEMBL13283781 0.65 MAPT (0.58) SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL9566190 0.64 KCNN4 (0.46) LMNASMN1; SMN2KCNN4MMP12ADRA2A
SCHEMBL351341 0.64 ADRA2A (0.39) SMN1; SMN2KCNN4MMP12ADRA2AADRA2B
SCHEMBL6984753 0.64 ELANE (0.33) MAOAMAOB

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-2020189540-A1 METHOD FOR PREPARING AROMATIC AMINO ACID DERIVATIVE 中外製薬株式会社 2020-09-24 WO disclosed