SCHEMBL29084580

SCHEMBL29084580

O=[N+]([O-])c1ccccc1Oc1ccccc1Br

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 6/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
RECQL P46063 1/20 0.55
ESR2 Q92731 1/20 0.51
HTT P42858 3/20 0.49
GAA P10253 1/20 0.47
HSPB1 P04792 1/20 0.46
POLB P06746 2/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
ATM Q13315 1/20 0.44
GBA1 P04062 1/20 0.43
MAPK1 P28482 1/20 0.43
TBXA2R P21731 1/20 0.43

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
SCHEMBL39472 0.88 HPGD (0.78) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL28056476 0.86 L3MBTL1 (0.81) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL8107182 0.85 L3MBTL1 (0.56) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL8091743 0.82 HPGD (0.60) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL17820543 0.81 L3MBTL1 (0.51) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL11406237 0.81 HPGD (0.68) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL3158662 0.79 ALDH1A1 (0.78) L3MBTL1ALDH1A1TDP1NPC1RAB9A
SCHEMBL5112932 0.79 MEN1 (0.48) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL28124694 0.79 POLB (0.57) HPGDL3MBTL1ALDH1A1TDP1NPC1
SCHEMBL1129149 0.79 L3MBTL1 (0.56) HPGDL3MBTL1ALDH1A1TDP1NPC1

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-116854643-A Synthesis method of dibenzodiazepine or oxyazepine compound 中山大学 2023-10-10 CN disclosed