SCHEMBL31649428

SCHEMBL31649428

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ DPP7 Q9UHL4 2/20 0.42
▸ TACR1 P25103 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ FAP Q12884 1/20 0.39
▸ DPP8 Q6V1X1 1/20 0.39
▸ DPP9 Q86TI2 1/20 0.39

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
SCHEMBL31649410 0.86 KMT2A (0.45) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649178 0.86 KMT2A (0.45) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649329 0.82 KMT2A (0.41) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649366 0.82 F2 (0.45) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649086 0.81 F2 (0.44) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649148 0.81 KMT2A (0.41) KMT2AMEN1DPP7TACR1TSHR
SCHEMBL31649427 0.81 ALDH1A1 (0.46) KMT2AMEN1TACR1TSHRLMNA
SCHEMBL31649149 0.80 KMT2A (0.39) KMT2AMEN1DPP7TSHRMAPK1
SCHEMBL31649068 0.80 F2 (0.43) KMT2AMEN1DPP7TACR1LMNA
SCHEMBL31649352 0.79 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1POLB

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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