SCHEMBL26320404

SCHEMBL26320404

O=C(O)c1csc(-c2ccccc2I)n1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.61
KDM4E B2RXH2 1/20 0.55
HPGDS O60760 1/20 0.54
ALDH1A1 P00352 2/20 0.51
HTR2B P41595 1/20 0.50
PTGER1 P34995 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAOA P21397 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL26319554 0.83 KDM4E (0.55) ACHEKDM4EHPGDSALDH1A1PTGER1
SCHEMBL2693403 0.81 ACHE (0.63) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL9823334 0.81 HTR2B (0.73) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL2691637 0.80 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL2545992 0.80 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL3536997 0.80 ACHE (0.66) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL6183496 0.80 ACHE (0.66) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL6251863 0.80 ACHE (0.61) ACHEKDM4EHPGDSALDH1A1HTR2B
SCHEMBL352152 0.79 HPGDS (0.73) ACHEKDM4EHPGDSALDH1A1PTGER1
SCHEMBL6986995 0.79 HTR2C (0.60) ACHEKDM4EHPGDSALDH1A1HTR2B

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