SCHEMBL31649306

SCHEMBL31649306

COc1ccc(CN(C2CC2)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N2CCC[C@H]3CCCC[C@@H]32)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.38
▸ MEN1 O00255 6/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ TSHR P16473 4/20 0.36
▸ POLB P06746 2/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL31649331 0.93 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649328 0.83 TACR1 (0.42) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL31649370 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649412 0.83 KMT2A (0.43) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649406 0.82 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649053 0.82 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649393 0.81 TSHR (0.41) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649325 0.81 KMT2A (0.40) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649223 0.81 SLC6A2 (0.40) KMT2AMEN1ALDH1A1KDM4ENPSR1
SCHEMBL31649455 0.81 KMT2A (0.41) KMT2AMEN1ALDH1A1KDM4ENPSR1

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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