SCHEMBL28292786

SCHEMBL28292786

O=Cc1ccccc1C=C1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
THRB P10828 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTR2C P28335 4/20 0.45
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
HTR2A P28223 1/20 0.36
PNMT P11086 1/20 0.36
CD44 P16070 1/20 0.36
MAOB P27338 1/20 0.36
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HTR2B P41595 2/20 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
SCHEMBL10394181 0.80 KMT2A (0.54) LMNAKMT2AMEN1THRBBLM
SCHEMBL12751389 0.77 DYRK2 (0.51) HTR2CALDH1A1HRH3HTR2APNMT
SCHEMBL12751376 0.77 HTR2C (0.45) TDP1HTR2CTRIM24TRIM33DRD2
SCHEMBL12751382 0.77 HTR2C (0.47) LMNAHTR2CALDH1A1TSHRHRH3
SCHEMBL12751291 0.77 IKBKB (0.51) KMT2AHTR2CHRH3HTR2APNMT
Hydrochloric Acid SCHEMBL1473505 0.76 IKBKB (0.50) KMT2AMEN1HTR2CHRH3HTR2A
Hydrochloric Acid SCHEMBL7983894 0.76 DYRK2 (0.50) HTR2CALDH1A1HRH3HTR2APNMT
Hydrochloric Acid SCHEMBL6979971 0.76 IKBKB (0.50) KMT2AHTR2CHRH3HTR2AHTR2B
Ortho-Phthalaldehyde SCHEMBL7621085 0.75 LMNA (0.59) LMNAKMT2AMEN1THRBBLM
SCHEMBL5015224 0.73 TNF (0.51) HTR2CMAOB

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-109661392-A For treating the mitochondrial inhibitors of proliferative disorder 巴斯利尔药物国际股份公司 2019-04-19 CN disclosed