SCHEMBL31649033

SCHEMBL31649033

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

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ DPP7 Q9UHL4 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TACR1 P25103 1/20 0.33
▸ PDCD1 Q15116 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ F2R P25116 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL31649329 0.86 KMT2A (0.41) KMT2AEPHX2DPP7ALDH1A1LMNA
SCHEMBL31649111 0.84 EPHX2 (0.34) KMT2AEPHX2ALDH1A1ABCB1MEN1
SCHEMBL31649064 0.82 DPP7 (0.42) KMT2AEPHX2DPP7ALDH1A1LMNA
SCHEMBL31649352 0.79 ALDH1A1 (0.43) KMT2AEPHX2ALDH1A1MEN1
SCHEMBL31649298 0.76 ALDH1A1 (0.38) KMT2AALDH1A1LMNAMEN1TSHR
SCHEMBL31649410 0.76 KMT2A (0.45) KMT2ADPP7ALDH1A1LMNAMEN1
SCHEMBL31649178 0.76 KMT2A (0.45) KMT2ADPP7ALDH1A1LMNAMEN1
SCHEMBL31649428 0.75 KMT2A (0.45) KMT2ADPP7ALDH1A1LMNAMEN1
SCHEMBL31649458 0.75 ALDH1A1 (0.47) KMT2AEPHX2DPP7ALDH1A1SMN1; SMN2
SCHEMBL31649429 0.72 CD274 (0.42) PDCD1CD274SMN1; SMN2

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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