SCHEMBL28527982

SCHEMBL28527982

O=Cc1cn(Cc2ccccc2Br)c2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.70
SMN1; SMN2 Q16637 9/20 0.70
HTT P42858 6/20 0.70
LMNA P02545 5/20 0.64
CNR2 P34972 1/20 0.59
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.52
HTR6 P50406 1/20 0.52
CYP19A1 P11511 1/20 0.51
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
IMPDH2 P12268 1/20 0.47

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
SCHEMBL8685734 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNACNR2
SCHEMBL6705979 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL6802019 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28467331 0.82 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487286 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL30487282 0.82 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4357272 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28533308 0.82 POLB (0.59) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL4363865 0.79 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL8690882 0.79 TDP1 (0.65) ALDH1A1SMN1; SMN2HTTLMNATDP1

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 2 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-108358923-A Sophoridine pyrroles, indole derivatives and the preparation method and application thereof 广西大学 2018-08-03 CN claimed