SCHEMBL23934732

SCHEMBL23934732

BC(O)(O)COc1ncccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.34
GRM4 Q14833 1/20 0.34
LMNA P02545 1/20 0.34
PDE10A Q9Y233 5/20 0.34
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
HSP90AA1 P07900 1/20 0.32

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
SCHEMBL21771178 0.91 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2GRM4LMNAPDE10A
SCHEMBL20428083 0.87 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GRM4LMNAPDE10A
SCHEMBL1933518 0.80 SCN9A (0.41) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL21771191 0.77 PDE10A (0.36) ALDH1A1PDE10ARAB9AMEN1KMT2A
SCHEMBL12135760 0.74 APP (0.45) ALDH1A1SMN1; SMN2GRM4LMNAPDE10A
SCHEMBL24599910 0.73 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL27194714 0.73 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2GRM4LMNAPDE10A
SCHEMBL1842773 0.73 HPGD (0.53) ALDH1A1SMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL23934738 0.73 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2GRM4LMNAPDE10A
SCHEMBL24553667 0.73 NPC1 (0.41) ALDH1A1SMN1; SMN2GRM4LMNAPDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3723807-B1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H LUNDBECK AS (DK) 2021-10-20 EP disclosed
EP-3723808-B1 COMBINATION TREATMENTS COMPRISING ADMINISTRATION OF 1H-PYRAZOLO[4,3-B]PYRIDINES H LUNDBECK AS (DK) 2021-10-20 EP disclosed