SCHEMBL28239179

SCHEMBL28239179

O=Cc1cccc2c1ccn2Cc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
KMT2A Q03164 3/20 0.47
MEN1 O00255 1/20 0.47
APP P05067 3/20 0.47
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
CYP19A1 P11511 1/20 0.45
SNCA P37840 2/20 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
SCHEMBL8394619 0.84 APP (0.63) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8687683 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL28238269 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8685326 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL28477449 0.84 HTR6 (0.55) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8685723 0.81 SLC2A1 (0.55) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8687577 0.81 APP (0.53) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8685511 0.81 ADCYAP1R1 (0.55) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8686330 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2LMNATDP1KMT2A
SCHEMBL8685733 0.80 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2LMNATDP1KMT2A

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 4 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
CN-108358923-B Sophoridine pyrrole and indole derivatives, and preparation method and application thereof 广西大学 2020-11-03 CN disclosed
CN-108358923-A Sophoridine pyrroles, indole derivatives and the preparation method and application thereof 广西大学 2018-08-03 CN disclosed