SCHEMBL28089000

SCHEMBL28089000

Cn1c(N2CCCC2)cc2cc(Br)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.47
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTR7 P34969 3/20 0.39
NPC1 O15118 4/20 0.39
MAPT P10636 4/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ROCK1 Q13464 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3B P49841 1/20 0.33

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
SCHEMBL8791762 0.77 KMT2A (0.46) MCL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL28088871 0.76 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL21812440 0.72 MCL1 (0.58) MCL1ALDH1A1MEN1KMT2AHTR7
SCHEMBL12278059 0.72 MEN1 (0.39) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL12278882 0.72 MEN1 (0.39) ALDH1A1MEN1KMT2AGSK3B
SCHEMBL12279285 0.72 ALDH1A1 (0.44) MCL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL25599594 0.71 ALDH1A1 (0.47) ALDH1A1NPC1MAPTRAB9AHTT
SCHEMBL2382747 0.71 MCL1 (0.56) MCL1ALDH1A1MEN1KMT2ANPC1
SCHEMBL17422809 0.69 MCL1 (0.54) MCL1ALDH1A1MEN1KMT2AHTR7
SCHEMBL17678213 0.69 NPC1 (0.48) ALDH1A1MEN1KMT2ANPC1MAPT

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-105859639-A NOVEL ANTI-INFLAMMATORY AGENTS 雷斯韦洛吉克斯公司 2016-08-17 CN disclosed