SCHEMBL29201733

SCHEMBL29201733

COC1(COCCC2CCN(C(=O)c3ccc(Cl)c(N4CCC(=O)NC4=O)c3)CC2)CCN(C(=O)O)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.34
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ LIPG Q9Y5X9 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ AKR1C3 P42330 1/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RORC P51449 1/20 0.32

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
SCHEMBL30864097 0.92 GPR119 (0.39) KMT2A
SCHEMBL31677318 0.92 SMYD3 (0.34) TSHRTNKSPARP1PARP10TNKS2
SCHEMBL31677350 0.92 TSHR (0.35) TSHRTNKSPARP1PARP10TNKS2
SCHEMBL29201756 0.90 KMT2A (0.37) TSHRDDR1MGLLCHRM4NPSR1
SCHEMBL31677282 0.89 ACHE (0.42) TSHRNPSR1
SCHEMBL29201746 0.87 MGLL (0.39) TSHRMGLLNPSR1
SCHEMBL29277059 0.84 HSD11B1 (0.39) TSHRMGLLNPSR1HTR1A
SCHEMBL31677332 0.83 MGLL (0.34) TSHRMGLLLIPGKMT2A
SCHEMBL27143092 0.83 MGLL (0.42) TSHRMGLLLIPGNPSR1
SCHEMBL30864109 0.83 GPR119 (0.40) KMT2A

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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