SCHEMBL26319554

SCHEMBL26319554

O=C(O)c1csc(-c2c(I)cccc2I)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.51
ACHE P22303 1/20 0.50
HPGDS O60760 1/20 0.50
PTGER1 P34995 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
ACMSD Q8TDX5 1/20 0.42
PTPN1 P18031 1/20 0.41
PLA2G10 O15496 1/20 0.41

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
SCHEMBL26320404 0.83 ACHE (0.61) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL25415043 0.80 KDM4E (0.55) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL25410319 0.80 KDM4E (0.55) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL25414298 0.80 ALDH1A1 (0.59) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL319326 0.80 PIM1 (0.56) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL6786585 0.78 ALDH1A1 (0.63) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL26319639 0.77 ALDH1A1 (0.46) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL352152 0.75 HPGDS (0.73) KDM4EALDH1A1ACHEHPGDSPTGER1
SCHEMBL24136179 0.75 ALDH1A1 (0.71) KDM4EALDH1A1ACHEHPGDSHDAC1
SCHEMBL2693587 0.74 PIM1 (0.51) KDM4EALDH1A1ACHEHPGDS

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
WO-2023170024-A1 CAMK2 MODULATORS AND THEIR USE IN MEDICINE UNIVERSITY OF COPENHAGEN (DK) 2023-09-14 WO disclosed