SCHEMBL25129494

SCHEMBL25129494

CC(C)C(=O)CN(C)CCN(C)CCN(C)CCN(C)C(=O)CN(C)CCN(C)CCN(C)CCN(C)C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA3 P07451 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL25132435 0.89 CA12 (0.48) CA12CA2CA3CA4CA6
SCHEMBL25129492 0.88 — —
SCHEMBL25129701 0.84 — —
SCHEMBL25132339 0.84 — —
SCHEMBL25129614 0.80 DPP4 (0.32) —
SCHEMBL25129540 0.80 DPP4 (0.32) —
SCHEMBL25132934 0.76 KDM5A (0.35) CA12CA2CA9
SCHEMBL25132446 0.74 — —
SCHEMBL25132444 0.74 — —
SCHEMBL16384473 0.74 CA12 (0.48) CA12CA2CA3CA4CA6

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
WO-2023057813-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
WO-2023057814-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
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