SCHEMBL31056274

SCHEMBL31056274

O=Cc1cc(Br)cc([N+](=O)[O-])c1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
PIN1 Q13526 2/20 0.41
BACE1 P56817 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
ATM Q13315 1/20 0.40
POLB P06746 1/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39

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
SCHEMBL27879445 0.86 MAOB (0.45) MAPTMEN1NPC1RAB9AKMT2A
SCHEMBL31091843 0.82 PTGES (0.48) GAAMAPTHPGDMEN1NPC1
SCHEMBL4585380 0.81 NPC1 (0.53) ERN1MEN1NPC1RAB9AKMT2A
SCHEMBL11685931 0.81 MAPT (0.68) ERN1GAAMAPTHPGDMEN1
SCHEMBL11075503 0.80 HTR1A (0.53) GAAMAPTMEN1KMT2AHTR1A
SCHEMBL4055189 0.79 GAA (0.51) ERN1GAAMAPTHPGDMAOA
SCHEMBL16378450 0.78 MAPT (0.39) GAAMAPTHPGDMEN1NPC1
SCHEMBL17746516 0.78 MAPT (0.39) GAAMAPTHPGDMEN1NPC1
SCHEMBL21596262 0.76 ALDH1A1 (0.55) ERN1GAAMAPTHPGDMEN1
SCHEMBL27896296 0.76 NPC1 (0.45) MEN1NPC1RAB9AKMT2APIN1

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-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed