SCHEMBL26319639

SCHEMBL26319639

O=C(O)c1csc(-c2c(Cl)ccc(I)c2Cl)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ACHE P22303 1/20 0.42
HPGDS O60760 1/20 0.42
MAPT P10636 2/20 0.40
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
PLA2G10 O15496 1/20 0.37
PTGER1 P34995 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL26319630 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL26319700 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL25413905 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL25410319 0.80 KDM4E (0.55) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL25413938 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL26319827 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL26319554 0.77 KDM4E (0.55) ALDH1A1KDM4EACHEHPGDSPLA2G10
SCHEMBL2693587 0.74 PIM1 (0.51) ALDH1A1KDM4EACHEHPGDSHTR2C
SCHEMBL2694096 0.74 PIM1 (0.46) ALDH1A1KDM4EACHEHPGDSMAPT
SCHEMBL25414384 0.74 HTR2C (0.38) ALDH1A1KDM4EACHEHPGDSPLA2G10

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