SCHEMBL28935930

SCHEMBL28935930

COc1ccc(O)c(O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
NNMT P40261 3/20 0.41
CYP1A2 P05177 2/20 0.37
KMT2A Q03164 2/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
SIRT1 Q96EB6 1/20 0.37
MAOB P27338 1/20 0.37
DYRK1A Q13627 3/20 0.36
RAF1 P04049 2/20 0.36
ERN1 O75460 2/20 0.36
CLK1 P49759 1/20 0.35
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
TP53 P04637 2/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL29091456 0.81 POLB (0.42) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL323351 0.79 POLB (0.55) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL586103 0.79 NNMT (0.53) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL12588525 0.79 NNMT (0.44) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL19671122 0.77 POLB (0.40) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL1851105 0.77 NNMT (0.43) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL30619421 0.77 POLB (0.40) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL15467080 0.77 POLB (0.40) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL30427669 0.77 NNMT (0.43) POLBTDP1NNMTCYP1A2KMT2A
SCHEMBL13213488 0.77 POLB (0.40) POLBTDP1NNMTCYP1A2KMT2A

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
CN-115611925-A HPK1 inhibitors and uses thereof 轩竹生物科技股份有限公司 2023-01-17 CN disclosed