SCHEMBL26319829

SCHEMBL26319829

O=C(O)c1csc(-c2ccc(O)cc2Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.51
PRKCG P05129 1/20 0.51
PRKCB P05771 1/20 0.51
IL1R1 P14778 1/20 0.51
PRKCA P17252 1/20 0.51
TNFRSF1A P19438 1/20 0.51
PRKCH P24723 1/20 0.51
PRKCI P41743 1/20 0.51
PRKCE Q02156 1/20 0.51
PRKCQ Q04759 1/20 0.51
PRKCZ Q05513 1/20 0.51
PRKCD Q05655 1/20 0.51
PRKD1 Q15139 1/20 0.51
TLR7 Q9NYK1 1/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C8 P10632 1/20 0.51
ACHE P22303 1/20 0.50
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL30775593 0.86 PRKD3 (0.62) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL22637490 0.86 PRKD3 (0.62) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL12471505 0.86 TYR (0.58) ACHEALDH1A1KDM4ETYRHPGDS
SCHEMBL2695703 0.82 ACHE (0.50) ACHEALDH1A1KDM4EESR1ESR2
SCHEMBL6603894 0.80 NPSR1 (0.73) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL2691637 0.80 ACHE (0.61) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL2692508 0.79 ACHE (0.50) ACHEALDH1A1KDM4ETYRHPGDS
SCHEMBL25232369 0.77 EIF4E (0.52) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL9823651 0.76 CYP19A1 (0.53) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL1785557 0.76 ALDH1A1 (0.73) TLR7ALDH1A1KDM4ENPC1RAB9A

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