SCHEMBL28535566

SCHEMBL28535566

c1ccc(CCc2ccc(Sc3ccc(CCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.54
MAOA P21397 5/20 0.54
HTR2C P28335 1/20 0.50
HTR6 P50406 1/20 0.50
SLC6A4 P31645 1/20 0.50
FFAR1 O14842 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
HTR2A P28223 2/20 0.46
CYP2A6 P11509 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
KCNH2 Q12809 1/20 0.44

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
SCHEMBL24917160 0.95 SLC6A4 (0.55) MAOBMAOAHTR2CHTR6SLC6A4
SCHEMBL534639 0.84 CALM1 (0.63) MAOBMAOAHTR2CHTR6SLC6A4
SCHEMBL945034 0.84 HPGD (0.55) MAOBMAOAFFAR1ALDH1A1HPGD
SCHEMBL55138 0.83 MAOB (0.72) MAOBMAOAFFAR1ALDH1A1HPGD
SCHEMBL12506236 0.83 MAOB (0.72) MAOBMAOAFFAR1ALDH1A1HPGD
SCHEMBL10707308 0.82 CALM1 (0.60) MAOBMAOAHTR2CHTR6SLC6A4
SCHEMBL19938060 0.81 SLC6A4 (0.53) MAOBMAOAHTR2CHTR6SLC6A4
SCHEMBL19941486 0.81 HTR6 (0.69) MAOBMAOAHTR2CHTR6SLC6A4
SCHEMBL5992941 0.81 TDP1 (0.62) MAOBMAOAHTR2CHTR6SLC6A4
SCHEMBL62125 0.80 ALDH1A1 (0.69) MAOBMAOAFFAR1ALDH1A1HPGD

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-112533934-A Polyoxometallate compounds exhibiting bright emission and methods of making the same 纳米2D材料有限公司 2021-03-19 CN disclosed