SCHEMBL28607882

SCHEMBL28607882

[O]C1CC1(Cl)c1ccccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HDAC4 P56524 1/20 0.41
PTGS2 P35354 1/20 0.39
GRIN1 Q05586 4/20 0.38
GRIN2A Q12879 4/20 0.38
SLC6A4 P31645 2/20 0.38
LMNA P02545 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
CACNA1C Q13936 2/20 0.38
OPRK1 P41145 1/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 1/20 0.38
KDM1A O60341 2/20 0.37
CACNB4 O00305 1/20 0.36
CACNA1A O00555 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
SCHEMBL28331308 0.75 KDM1A (0.36) CRHBPCRHR2HDAC4PTGS2GRIN1
SCHEMBL28740513 0.70 GRIN2D (0.33) CRHBPCRHR2GRIN1GRIN2AGRIN2D
SCHEMBL11993802 0.70 HDAC4 (0.44) CRHBPCRHR2HDAC4GRIN1GRIN2A
SCHEMBL5642948 0.68 HDAC4 (0.43) CRHBPCRHR2HDAC4PTGS2GRIN1
SCHEMBL31506444 0.67 LMNA (0.45) CRHBPCRHR2HDAC4GRIN1GRIN2A
SCHEMBL3389630 0.65 HDAC4 (0.49) CRHBPCRHR2HDAC4GRIN1GRIN2A
SCHEMBL4445384 0.64 HDAC4 (0.40) CRHBPCRHR2HDAC4GRIN1GRIN2A
SCHEMBL31687602 0.64 SMN1; SMN2 (0.50) CRHBPCRHR2HDAC4PTGS2TP53
SCHEMBL6140948 0.64 HDAC4 (0.43) CRHBPCRHR2HDAC4PTGS2GRIN1
SCHEMBL805454 0.64 GRIN1 (0.50) CRHBPCRHR2HDAC4GRIN1GRIN2A

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-113185470-B Preparation method of prothioconazole 江苏七洲绿色科技研究院有限公司 2022-12-27 CN disclosed
CN-113185470-A Preparation method of prothioconazole 江苏七洲绿色科技研究院有限公司 2021-07-30 CN disclosed