SCHEMBL25858447

SCHEMBL25858447

CCNc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C=N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.44
LIPG Q9Y5X9 12/20 0.44
HIF1A Q16665 3/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
ESR2 Q92731 1/20 0.35
EGFR P00533 2/20 0.34
F11 P03951 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
SCHEMBL21949466 0.89 LPL (0.44) LPLLIPGHIF1ACA12CA1
SCHEMBL23520385 0.84 LPL (0.39) LPLLIPGHIF1ACA12CA1
SCHEMBL25858474 0.81 LPL (0.36) LPLLIPGHIF1ACA12CA1
SCHEMBL2429070 0.80 LPL (0.49) LPLLIPGHIF1ACA12CA1
SCHEMBL2428529 0.78 LPL (0.47) LPLLIPGHIF1ACA12CA1
SCHEMBL2424883 0.77 LPL (0.49) LPLLIPGHIF1ACA12CA1
SCHEMBL19966320 0.76 HIF1A (0.33) LPLLIPGHIF1AESR2
SCHEMBL18332596 0.76 LPL (0.42) LPLLIPGCA12CA1CA2
SCHEMBL19204154 0.75 LPL (0.39) LPLLIPGCA12CA1CA2
SCHEMBL2427419 0.75 LPL (0.47) LPLLIPGHIF1ACA12CA1

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 WO disclosed