SCHEMBL25338024

SCHEMBL25338024

O=C(Cc1c[nH]c2ccccc12)NCC1COc2ccccc2O1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.81
AIMP2 Q13155 10/20 0.60
HTT P42858 1/20 0.59
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
CYP1A2 P05177 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP3A4 P08684 1/20 0.58
MTNR1A P48039 1/20 0.58
TSHR P16473 2/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
USP2 O75604 1/20 0.56
MEN1 O00255 1/20 0.56
LMNA P02545 1/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL7834305 0.88 MAPT (1.00) MAPTAIMP2CYP2C19CYP1A2CYP2D6
SCHEMBL7837183 0.80 MAPT (0.82) MAPTAIMP2HTTALDH1A1MEN1
SCHEMBL6204950 0.80 MEN1 (0.67) MAPTHTTMTNR1ATSHRALDH1A1
SCHEMBL7829246 0.79 MAPT (0.83) MAPTAIMP2HTTCYP2C19CYP1A2
SCHEMBL1854450 0.78 NPY5R (0.61) MAPTHTTPKMALDH1A1KDM4E
SCHEMBL7828214 0.77 MAPT (0.70) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL7824584 0.77 MAPT (0.80) MAPTAIMP2MTNR1A
SCHEMBL7838051 0.76 MAPT (0.77) MAPTMTNR1AALDH1A1KDM4EMEN1
SCHEMBL7838049 0.76 MAPT (0.77) MAPTMTNR1AALDH1A1KDM4EMEN1
SCHEMBL7817707 0.76 MAPT (0.68) MAPTALDH1A1MEN1LMNAKMT2A

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