SCHEMBL31412965

SCHEMBL31412965

O=C1NCC2(CC2F)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ PARP10 Q53GL7 2/20 0.36
▸ PARP11 Q9NR21 2/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ KMT2A Q03164 1/20 0.33
▸ CASP3 P42574 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ CASP6 P55212 2/20 0.33
▸ CASP8 Q14790 2/20 0.33
▸ TDP2 O95551 1/20 0.33
▸ CASP9 P55211 1/20 0.33
▸ MAP3K14 Q99558 1/20 0.33
▸ CASP2 P42575 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PARP3 Q9Y6F1 1/20 0.32
▸ DYRK1B Q9Y463 2/20 0.32
▸ KDM1A O60341 1/20 0.32

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
SCHEMBL29551715 0.78 TDP2 (0.42) CA9PARP10PARP11PARP1TDP2
SCHEMBL24457701 0.78 TDP2 (0.42) CA9PARP10PARP11PARP1TDP2
SCHEMBL24456969 0.78 TDP2 (0.42) CA9PARP10PARP11PARP1TDP2
SCHEMBL24456941 0.78 TDP2 (0.42) CA9PARP10PARP11PARP1TDP2
SCHEMBL29552532 0.76 PARP10 (0.47) PARP10PARP11PARP1KMT2ATDP2
SCHEMBL30496349 0.76 PARP10 (0.47) PARP10PARP11PARP1KMT2ATDP2
SCHEMBL24457736 0.76 PARP10 (0.47) PARP10PARP11PARP1KMT2ATDP2
SCHEMBL24457261 0.76 PARP10 (0.47) PARP10PARP11PARP1KMT2ATDP2
SCHEMBL24457731 0.76 PARP10 (0.47) PARP10PARP11PARP1KMT2ATDP2
SCHEMBL29914809 0.75 CA12 (0.42) CA12CA9GSK3BPARP10PARP11

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-119233972-A Compounds, compositions, and methods 尼科治疗有限公司 2024-12-31 — — CN disclosed
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