SCHEMBL31649077

SCHEMBL31649077

COc1ccc(CN(C2CC2)[C@H](CC(N)=O)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ TSHR P16473 4/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ CTSD P07339 1/20 0.36

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
SCHEMBL31649406 0.91 KMT2A (0.40) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649053 0.91 KMT2A (0.40) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649325 0.90 KMT2A (0.40) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649412 0.90 KMT2A (0.43) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649370 0.90 KMT2A (0.43) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31648994 0.90 TSHR (0.40) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649393 0.89 TSHR (0.41) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649223 0.89 SLC6A2 (0.40) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649243 0.88 KMT2A (0.41) KMT2AMEN1NPSR1ALDH1A1KDM4E
SCHEMBL31649455 0.88 KMT2A (0.41) KMT2AMEN1NPSR1ALDH1A1KDM4E

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