SCHEMBL31649429

SCHEMBL31649429

COc1ccc(CN[C@H](CO)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)n1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 17/20 0.42
▸ PDCD1 Q15116 13/20 0.42
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PDCD1LG2 Q9BQ51 3/20 0.33
▸ PIK3CD O00329 1/20 0.33

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
SCHEMBL31649352 0.79 ALDH1A1 (0.43) —
SCHEMBL31649084 0.79 HSD11B1 (0.32) NPC1RAB9ASMN1; SMN2
SCHEMBL31649458 0.78 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2
SCHEMBL31649298 0.75 ALDH1A1 (0.38) RAB9ASMN1; SMN2
SCHEMBL31649033 0.72 KMT2A (0.36) CD274PDCD1SMN1; SMN2
SCHEMBL31649410 0.70 KMT2A (0.45) SMN1; SMN2
SCHEMBL31649178 0.70 KMT2A (0.45) —
SCHEMBL31649428 0.70 KMT2A (0.45) —
SCHEMBL20999801 0.65 CD274 (0.65) CD274PDCD1PDCD1LG2
SCHEMBL20999511 0.64 CD274 (0.61) CD274PDCD1PDCD1LG2

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-2025132943-A1 DECAHYDROQUINOLINES AS DNA POLYMERASE THETA INHIBITORS BREAKPOINT THERAPEUTICS GMBH (DE) 2025-06-26 — — WO disclosed
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