SCHEMBL25337487

SCHEMBL25337487

O=C(C1COc2ccccc2O1)N1CCN(Cc2cccc(Cl)c2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AIMP2 Q13155 4/20 1.00
KMT2A Q03164 3/20 0.72
TSHR P16473 1/20 0.72
GAA P10253 1/20 0.59
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPK1 P28482 3/20 0.55
MAPT P10636 1/20 0.55
ATM Q13315 1/20 0.54
LTA4H P09960 1/20 0.53
FAAH O00519 1/20 0.53
POLB P06746 2/20 0.53
TDP1 Q9NUW8 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
SCHEMBL18171334 0.90 AIMP2 (0.81) AIMP2KMT2ATSHRGAAALDH1A1
Hydrochloric Acid SCHEMBL18171335 0.89 AIMP2 (0.80) AIMP2KMT2ATSHRGAAALDH1A1
SCHEMBL3355450 0.84 KMT2A (0.73) AIMP2KMT2ATSHRGAAALDH1A1
SCHEMBL3359550 0.80 AIMP2 (0.67) AIMP2KMT2ATSHRGAAFAAH
SCHEMBL3355413 0.78 AIMP2 (0.64) AIMP2KMT2ATSHRGAAALDH1A1
SCHEMBL7978591 0.77 KMT2A (0.75) AIMP2KMT2ATSHRGAAALDH1A1
SCHEMBL3352360 0.77 AIMP2 (0.62) AIMP2KMT2ATSHRALDH1A1HPGD
SCHEMBL8228179 0.76 ADRB2 (0.77) AIMP2KMT2ATSHRGAAALDH1A1
SCHEMBL4136572 0.75 ALDH1A1 (0.78) AIMP2KMT2ATSHRGAAALDH1A1
SCHEMBL13202892 0.74 ALDH1A1 (0.76) AIMP2KMT2ATSHRGAAALDH1A1

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