SCHEMBL23409552

SCHEMBL23409552

CCCCOc1cc2c3c(c1)CCN3C(=O)CC2

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.61
KMT2A Q03164 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CYP11B1 P15538 7/20 0.54
CYP11B2 P19099 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 2/20 0.46

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
SCHEMBL23409214 0.96 POLB (0.60) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL23409610 0.87 POLB (0.57) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL23409958 0.84 KMT2A (0.48) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL23409215 0.82 POLB (0.54) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL23409221 0.81 POLB (0.42) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL23409966 0.80 POLB (0.46) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL7138423 0.79 CYP11B1 (0.66) KMT2ATDP1CYP11B1CYP11B2L3MBTL1
SCHEMBL23409561 0.78 HRH3 (0.46) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL23409730 0.77 POLB (0.41) POLBKMT2ATDP1CYP11B1CYP11B2
SCHEMBL1762275 0.77 POLB (0.57) POLBKMT2ATDP1CYP11B1CYP11B2

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-2021098737-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF 上海枢境生物科技有限公司 2021-05-27 WO disclosed