SCHEMBL29201756

SCHEMBL29201756

O=C1CCN(c2cc(C(=O)N3CCC(CCOCC4(O)CCN(C(=O)O)CC4)CC3)ccc2Cl)C(=O)N1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ MGLL Q99685 2/20 0.34
▸ CHRM4 P08173 1/20 0.34
▸ DDR1 Q08345 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ENPP2 Q13822 1/20 0.33
▸ ATXN2 Q99700 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ HTR1A P08908 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
SCHEMBL31677332 0.91 MGLL (0.34) KMT2APOLBMGLLTSHRHSD11B1
SCHEMBL30864109 0.91 GPR119 (0.40) KMT2A
SCHEMBL29201733 0.90 TSHR (0.34) KMT2AMGLLCHRM4DDR1TSHR
SCHEMBL29201746 0.89 MGLL (0.39) MGLLTSHRNPSR1HSD11B1
SCHEMBL29277059 0.86 HSD11B1 (0.39) MGLLTSHRNPSR1HSD11B1HTR1A
SCHEMBL27143092 0.85 MGLL (0.42) MGLLTSHRNPSR1HSD11B1
SCHEMBL27147744 0.83 NAMPT (0.36) MGLLTSHRHSD11B1HTR1A
SCHEMBL31677350 0.83 TSHR (0.35) MGLLTSHRNPSR1HSD11B1
SCHEMBL29201758 0.82 HTT (0.40) MGLLHTTHSD11B1
SCHEMBL31697885 0.82 MGLL (0.39) MGLLTSHRNPSR1HSD11B1

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
CN-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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