SCHEMBL26319786

SCHEMBL26319786

COC(=O)c1csc(-c2c(Cl)cccc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
ACHE P22303 1/20 0.57
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TLR7 Q9NYK1 2/20 0.45
PANK3 Q9H999 1/20 0.44
RAB9A P51151 5/20 0.43
TYK2 P29597 1/20 0.43
GAA P10253 1/20 0.43
HTR2C P28335 2/20 0.42
NPC1 O15118 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.41
KDM1A O60341 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL793051 0.85 RAB9A (0.58) POLBALDH1A1RAB9AGAANPC1
SCHEMBL25412714 0.85 HPGDS (0.56) MAOAACHEPOLBTLR7PANK3
SCHEMBL29600613 0.82 MAOA (0.57) MAOAACHEPIM1PIM3
SCHEMBL25410319 0.81 KDM4E (0.55) ACHEALDH1A1TLR7GAAHTR2C
SCHEMBL25413056 0.81 RAB9A (0.44) MAOAACHEPOLBALDH1A1TLR7
SCHEMBL14656020 0.81 ACHE (0.64) MAOAACHEPOLBALDH1A1RAB9A
SCHEMBL26469879 0.79 ACHE (0.57) MAOAACHEPOLBALDH1A1TLR7
SCHEMBL26319783 0.78 ALDH1A1 (0.55) ACHEALDH1A1IRAK4
SCHEMBL29910977 0.78 MAOA (0.61) MAOAACHEPOLBALDH1A1TLR7
SCHEMBL25278483 0.77 MAOA (0.58) MAOAACHETLR7RAB9AGAA

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