SCHEMBL29070964

SCHEMBL29070964

CCOc1ccc(COc2ccccc2Br)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
ATM Q13315 1/20 0.47
NQO1 P15559 1/20 0.47
HTT P42858 1/20 0.46
LTA4H P09960 1/20 0.46
HTR1A P08908 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 5/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTR7 P34969 1/20 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
SCHEMBL30145233 0.85 ABCB1 (0.59) MAPTALDH1A1HPGDATMLTA4H
SCHEMBL7914167 0.85 ABCB1 (0.59) MAPTALDH1A1HPGDATMLTA4H
SCHEMBL1539317 0.81 SMN1; SMN2 (0.47) MAPTALDH1A1HPGDATMHTT
Alcohol SCHEMBL27562871 0.81 MAPT (0.56) MAPTALDH1A1HPGDATMHTT
SCHEMBL19140088 0.81 MAPT (0.52) MAPTALDH1A1HPGDATMHTT
SCHEMBL29414783 0.80 MAPT (0.59) MAPTALDH1A1HPGDATMLTA4H
SCHEMBL1081189 0.80 MAPT (0.59) MAPTALDH1A1HPGDATMLTA4H
SCHEMBL74492 0.80 HTR7 (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL31259416 0.80 HTR7 (0.57) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL1928044 0.79 MAOB (0.53) MAPTALDH1A1HPGDATMHTT

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-116332948-A Nitrogen-containing tetracyclic compound, preparation method and medicinal application thereof 翰森生物有限责任公司 2023-06-27 CN disclosed