SCHEMBL25337553

SCHEMBL25337553

O=C(Cc1ccc2[nH]ccc2c1)NCC1COc2ccccc2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 9/20 1.00
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
CYP3A4 P08684 1/20 0.64
ALDH1A1 P00352 2/20 0.60
MTNR1A P48039 1/20 0.55
POLB P06746 1/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL25336583 0.85 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337402 0.81 AIMP2 (0.76) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337323 0.79 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25338050 0.78 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337575 0.78 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25337602 0.78 AIMP2 (1.00) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25338024 0.74 MAPT (0.81) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25335937 0.73 ALDH1A1 (0.75) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21416050 0.72 MTNR1A (0.70) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL21348630 0.72 MTNR1A (0.70) AIMP2CYP1A2CYP2D6CYP2C9CYP2C19

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
WO-2023146244-A1 BENZODIOXANE DERIVATIVE COMPOUNDS AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-08-03 WO claimed
WO-2023146244-A1 BENZODIOXANE DERIVATIVE COMPOUNDS AND MEDICAL USE THEREOF 재단법인 한국파스퇴르연구소 2023-08-03 WO disclosed