SCHEMBL31649416

SCHEMBL31649416

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ POLB P06746 3/20 0.41
▸ KMT2A Q03164 10/20 0.39
▸ MEN1 O00255 8/20 0.39
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ RORC P51449 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 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
SCHEMBL31649374 1.00 TSHR (0.41) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649325 0.90 KMT2A (0.40) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649412 0.90 KMT2A (0.43) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649370 0.90 KMT2A (0.43) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649190 0.89 KMT2A (0.41) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649053 0.89 KMT2A (0.40) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649406 0.89 KMT2A (0.40) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649393 0.88 TSHR (0.41) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649223 0.88 SLC6A2 (0.40) TSHRNPSR1POLBKMT2AMEN1
SCHEMBL31649455 0.87 KMT2A (0.41) TSHRNPSR1POLBKMT2AMEN1

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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