SCHEMBL30134875

SCHEMBL30134875

O=Cc1ccccc1C#CC1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
CYP1A2 P05177 1/20 0.34
GRM5 P41594 1/20 0.34
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CREBBP Q92793 2/20 0.33
BRD4 O60885 1/20 0.33
PTPN11 Q06124 1/20 0.33
FFAR1 O14842 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL29958070 1.00 LMNA (0.43) LMNAKMT2AMEN1THRBBLM
SCHEMBL15428186 0.91 GRM5 (0.45) LMNAKMT2AMEN1THRBBLM
SCHEMBL25273234 0.73 ALDH1A1 (0.49) LMNAKMT2AMEN1ALDH1A1TRIM24
SCHEMBL29417095 0.73 TRIM24 (0.43) LMNAKMT2AMEN1THRBBLM
SCHEMBL31587369 0.72 MEN1 (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL9699037 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL193992 0.71 KMT2A (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL29880146 0.71 KMT2A (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL21246857 0.71 KCNH2 (0.43) LMNATSHRCYP1A2GRM5PTPN11
SCHEMBL4607978 0.71 CYP1A2 (0.50) KMT2AMEN1ALDH1A1CYP1A2GRM5

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
CN-115504953-A Preparation method of 3-isocoumarin chromone compound 昆明理工大学 2022-12-23 CN disclosed