SCHEMBL30775593

SCHEMBL30775593

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 1/20 0.62
PRKCG P05129 1/20 0.62
PRKCB P05771 1/20 0.62
IL1R1 P14778 1/20 0.62
PRKCA P17252 1/20 0.62
TNFRSF1A P19438 1/20 0.62
PRKCH P24723 1/20 0.62
PRKCI P41743 1/20 0.62
PRKCE Q02156 1/20 0.62
PRKCQ Q04759 1/20 0.62
PRKCZ Q05513 1/20 0.62
PRKCD Q05655 1/20 0.62
PRKD1 Q15139 1/20 0.62
TLR7 Q9NYK1 1/20 0.62
KDM4E B2RXH2 2/20 0.58
NPC1 O15118 1/20 0.58
CRHBP P24387 1/20 0.58
RAB9A P51151 1/20 0.58
CRHR2 Q13324 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL22637490 1.00 PRKD3 (0.62) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL25232369 0.88 EIF4E (0.52) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL26319829 0.86 PRKD3 (0.51) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL15608763 0.85 KMO (0.55) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL2693577 0.83 ACHE (0.50) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL9823651 0.83 CYP19A1 (0.53) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL2551781 0.82 NPSR1 (0.71) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL11046608 0.82 CYP19A1 (0.52) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL11046619 0.82 CYP19A1 (0.52) PRKD3PRKCGPRKCBIL1R1PRKCA
SCHEMBL6603894 0.81 NPSR1 (0.73) PRKD3PRKCGPRKCBIL1R1PRKCA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117654456-A Preparation method of special solid phase extraction filler for carboxylic acid herbicide 福建省农业科学院农业质量标准与检测技术研究所 2024-03-08 CN claimed
CN-117654456-A Preparation method of special solid phase extraction filler for carboxylic acid herbicide 福建省农业科学院农业质量标准与检测技术研究所 2024-03-08 CN disclosed