SCHEMBL28467331

SCHEMBL28467331

Cc1ccccc1Cn1cc(C=O)c2ccccc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
SMN1; SMN2 Q16637 8/20 0.70
HTT P42858 5/20 0.70
LMNA P02545 4/20 0.64
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.62
MAPK1 P28482 1/20 0.62
TDP1 Q9NUW8 2/20 0.54
KMT2A Q03164 5/20 0.53
POLB P06746 2/20 0.53
MAPT P10636 1/20 0.53
MEN1 O00255 4/20 0.52
IMPDH2 P12268 1/20 0.51

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
SCHEMBL8758304 0.87 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL6802019 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL28527982 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL6705979 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL4357272 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL30487282 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL30487286 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL8690882 0.82 TDP1 (0.65) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28597800 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL8758318 0.81 ALDH1A1 (0.76) ALDH1A1SMN1; SMN2HTTLMNAGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108047226-B Matrine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN claimed
CN-108358923-A Sophoridine pyrroles, indole derivatives and the preparation method and application thereof 广西大学 2018-08-03 CN claimed