SCHEMBL28480565

SCHEMBL28480565

OOCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PARP10 Q53GL7 1/20 0.54
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2C9 P11712 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ACP3 P15309 1/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
CYP2D6 P10635 1/20 0.48
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
ATM Q13315 1/20 0.47
FFAR1 O14842 1/20 0.46
AKR1B1 P15121 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4850585 0.82 CYP1A2 (0.56) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL31012122 0.82 CYP1A2 (0.56) MEN1KMT2APARP10CYP1A2CYP2C19
Hydroxyamine SCHEMBL8924246 0.81 MEN1 (0.53) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL8726087 0.78 CYP1A2 (0.52) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL20827646 0.78 CYP1A2 (0.52) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL792004 0.78 CYP1A2 (0.53) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL2134297 0.78 CYP1A2 (0.52) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL8527897 0.78 CYP1A2 (0.52) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL1520903 0.78 IDO1 (0.52) MEN1KMT2APARP10CYP1A2CYP2C19
SCHEMBL2093807 0.78 CYP1A2 (0.52) MEN1KMT2APARP10CYP1A2CYP2C19

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-111675620-A Method for catalytic oxidation of toluene and derivatives thereof by metalloporphyrin 浙江工业大学 2020-09-18 CN disclosed