SCHEMBL28218929

SCHEMBL28218929

C=C1c2ccccc2Cc2cccc(Cl)c21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.42
▸ POLB P06746 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ MAPK8 P45983 2/20 0.34
▸ MAPK9 P45984 2/20 0.34
▸ AHR P35869 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ PIM1 P11309 1/20 0.34

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
SCHEMBL3787825 0.86 MAOA (0.46) MAOAPOLBHTR2BALDH1A1LMNA
SCHEMBL29522447 0.79 MAOA (0.61) MAOAALDH1A1MAPTKDM4EBCHE
SCHEMBL6902816 0.79 MAOA (0.61) MAOAALDH1A1MAPTKDM4EBCHE
SCHEMBL4668953 0.79 MAOA (0.56) MAOAALDH1A1LMNAMAPTKDM4E
SCHEMBL7103871 0.71 TSHR (0.57) MAOAHTR2BALDH1A1MAPTBCHE
SCHEMBL5543262 0.69 MAOA (0.46) MAOAPOLBHTR2BALDH1A1LMNA
SCHEMBL3284763 0.69 PNMT (0.53) MAOAHTR2BALDH1A1LMNAMAPT
SCHEMBL30403300 0.69 MAOA (0.56) MAOAPOLBHTR2BALDH1A1LMNA
SCHEMBL18457362 0.69 MAOA (0.38) MAOAALDH1A1LMNAMAPTKDM4E
Fluorene SCHEMBL10905010 0.69 MAOA (0.62) MAOAHTR2BALDH1A1LMNAMAPT

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-108129440-A A kind of method of synthesis of chiral chromene derivative 中国科学院大连化学物理研究所 2018-06-08 — — CN disclosed
Send feedback