SCHEMBL24727166

SCHEMBL24727166

Oc1c(O)c(O)c(-c2c(O)c(O)c(-c3c(O)c(O)c(Br)c(O)c3O)c(O)c2O)c(O)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA4 P22748 3/20 0.53
CA6 P23280 3/20 0.53
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
RECQL P46063 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 1/20 0.38
DRD4 P21917 2/20 0.36
MAOA P21397 1/20 0.33
DRD3 P35462 1/20 0.33
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
APEX1 P27695 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL24727403 1.00 CA1 (0.53) CA1CA2CA4CA6ALDH1A1
SCHEMBL24727059 0.96 CA1 (0.50) CA1CA2CA4CA6ALDH1A1
SCHEMBL18733082 0.88 CA1 (0.67) CA1CA2CA4CA6ALDH1A1
SCHEMBL24727161 0.81 CA1 (0.42) CA1CA2CA4CA6ALDH1A1
SCHEMBL24726921 0.81 CA1 (0.36) CA1CA2CA4CA6ALDH1A1
SCHEMBL24727289 0.77 CA1 (0.33) CA1CA2CA4CA6ALDH1A1
SCHEMBL24727155 0.77 CA1 (0.33) CA1CA2CA4CA6
SCHEMBL6439410 0.75 CA1 (0.75) CA1CA2CA4CA6ALDH1A1
SCHEMBL6436652 0.75 CA1 (0.91) CA1CA2CA4CA6ALDH1A1
SCHEMBL8889865 0.72 ACLY (0.43) CA1CA2CA4CA6ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4238969-A1 HETEROCYCLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME, COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT-EMITTING DEVICE, AND METHOD FOR MANUFACTURING ORGANIC LIGHT-EMITTING DEVICE LT Materials Co., Ltd. (KR) 2023-09-06 EP disclosed
EP-4190778-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2023-06-07 EP disclosed
EP-4074706-A1 DEUTERATED HETEROCYCLIC COMPOUND, ORGANIC LIGHT EMITTING DEVICE INCLUDING THE SAME AND COMPOSITION FOR ORGANIC LAYER OF ORGANIC LIGHT EMITTING DEVICE LG Display Co., Ltd. (KR) 2022-10-19 EP disclosed