SCHEMBL30935154

SCHEMBL30935154

CC1(C)OB(c2ccc3c(=O)[nH]c(=O)[nH]c3c2)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.44
WDR77 Q9BQA1 2/20 0.44
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
KDM4E B2RXH2 2/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CSF1R P07333 1/20 0.39
LPL P06858 9/20 0.38
LIPG Q9Y5X9 9/20 0.38
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA14 Q9ULX7 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
SCHEMBL3260895 0.88 CA9 (0.47) PRMT5WDR77CA9CA12KDM4E
SCHEMBL20227576 0.85 PARP1 (0.44) PRMT5WDR77CA9CA12KDM4E
SCHEMBL1226551 0.84 LPL (0.42) PRMT5WDR77CA9CA12CSF1R
SCHEMBL20227726 0.83 PARP1 (0.47) PRMT5WDR77KDM4EPARP1ALDH1A1
SCHEMBL19896283 0.82 LPL (0.46) PRMT5WDR77CA9CA12CSF1R
SCHEMBL20227582 0.79 PRMT5 (0.46) PRMT5WDR77CA9CA12KDM4E
SCHEMBL20227578 0.76 PARP1 (0.50) PRMT5WDR77CA9CA12KDM4E
SCHEMBL20227583 0.76 PARP1 (0.50) PRMT5WDR77CA9CA12KDM4E
SCHEMBL9891366 0.76 KIF11 (0.49) PRMT5WDR77ALDH1A1LPLLIPG
SCHEMBL30041886 0.75 KDM4E (0.47) PRMT5WDR77CA9CA12KDM4E

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-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed