SCHEMBL29670372

SCHEMBL29670372

Nc1cc(Br)ccc1NCCO

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.46
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
AAK1 Q2M2I8 2/20 0.43
APEX1 P27695 1/20 0.41
PTGER4 P35408 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
EGFR P00533 1/20 0.38

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
SCHEMBL419935 1.00 PRSS1 (0.46) PRSS1LMNAMAPTAAK1APEX1
SCHEMBL1464213 0.89 PRSS1 (0.49) PRSS1MAPTAAK1APEX1ALDH1A1
SCHEMBL30461744 0.85 MAPT (0.44) PRSS1LMNAMAPTAAK1APEX1
SCHEMBL418892 0.85 MAPT (0.44) PRSS1LMNAMAPTAAK1APEX1
SCHEMBL26324516 0.81 HTT (0.44) PRSS1MAPTAAK1APEX1PTGER4
SCHEMBL2927441 0.81 PRSS1 (0.49) PRSS1MAPTPTGER4ALDH1A1
SCHEMBL11786540 0.81 LMNA (0.46) LMNAMAPTAPEX1L3MBTL1CYP1A2
SCHEMBL2949748 0.79 TLR8 (0.45) PRSS1MAPTPTGER4ALDH1A1HDAC3
SCHEMBL17678064 0.78 KDM4E (0.45) PRSS1ALDH1A1EGFR
SCHEMBL6570671 0.78 CYP1A2 (0.43) PRSS1LMNAMAPTAPEX1L3MBTL1

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-2022115384-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2022-06-02 WO disclosed