SCHEMBL29933737

SCHEMBL29933737

CCCCCCC(S)c1cc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.41
DRD3 P35462 1/20 0.41
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
EZH2 Q15910 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CCKBR P32239 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
AOC3 Q16853 2/20 0.35
BRD4 O60885 1/20 0.35

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
SCHEMBL29933703 0.98 DRD2 (0.42) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL11038954 0.94 DRD2 (0.43) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL10774538 0.86 KDM4E (0.45) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL28088464 0.86 KDM4E (0.45) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL28890610 0.86 KDM4E (0.45) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL30863902 0.84 DRD2 (0.45) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL9225107 0.84 DRD2 (0.44) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL9227391 0.82 KDM4E (0.42) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL11168360 0.82 ALOX5 (0.43) DRD2DRD3ALOX5KDM4EALDH1A1
SCHEMBL30335497 0.82 ALOX5 (0.43) DRD2DRD3ALOX5KDM4EALDH1A1

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-109879790-B Amide micromolecule organic compound with indole or indole analogue as mother nucleus structure, application and preparation method thereof 华东师范大学 2022-09-20 CN disclosed