SCHEMBL24824322

SCHEMBL24824322

Nc1cc2cc3c(cc2cc1Br)OCCCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 1/20 0.37
ALDH1A1 P00352 5/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
L3MBTL4 Q8NA19 1/20 0.35
MAPT P10636 6/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
BLM P54132 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
SGK1 O00141 1/20 0.31
APAF1 O14727 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL30041891 0.87 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTGAAMEN1
SCHEMBL24824320 0.86 SMN1; SMN2 (0.50) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL29481812 0.77 MAPT (0.47) SMN1; SMN2HPGDALDH1A1MAPTGAA
SCHEMBL3250820 0.77 MAPT (0.47) SMN1; SMN2HPGDALDH1A1MAPTGAA
SCHEMBL23625921 0.77 MAPT (0.45) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL30952913 0.77 MAPT (0.45) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL1856539 0.74 SMN1; SMN2 (0.61) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL10841800 0.74 MAPT (0.47) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL24823372 0.72 ALDH1A1 (0.34) SMN1; SMN2HPGDALDH1A1NPC1RAB9A
SCHEMBL30040831 0.71 MAPT (0.55) SMN1; SMN2MAPTGAAMEN1KMT2A

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
WO-2022267930-A1 TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2022-12-29 WO disclosed