SCHEMBL31362299

SCHEMBL31362299

CC1[C@@H](C)N(C(=O)OC(C)(C)C)Cc2cc(CO)nn21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ACACB O00763 1/20 0.33
▸ NR1H2 P55055 2/20 0.32
▸ GRM5 P41594 2/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ GPR119 Q8TDV5 1/20 0.31
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL31362437 0.81 MEN1 (0.34) MEN1KMT2AACACBNR1H2PTPN1
SCHEMBL31362279 0.81 MEN1 (0.34) MEN1KMT2AACACBNR1H2PTPN1
SCHEMBL31362592 0.80 GPR119 (0.40) MEN1KMT2AACACBNR1H2ALDH1A1
SCHEMBL31362446 0.80 GPR119 (0.40) MEN1KMT2AACACBNR1H2ALDH1A1
SCHEMBL19781282 0.77 MEN1 (0.37) MEN1KMT2AACACBNR1H2PTPN1
SCHEMBL19781607 0.77 MEN1 (0.37) MEN1KMT2AACACBNR1H2PTPN1
SCHEMBL29697602 0.70 NR1H2 (0.45) NR1H2GRM5ESR2
SCHEMBL22435395 0.70 NR1H2 (0.45) NR1H2GRM5ESR2
SCHEMBL31751317 0.69 ESR2 (0.41) NR1H2GRM5GPR119ESR2
SCHEMBL22738387 0.69 GRM5 (0.40) MEN1KMT2AGRM5PTPN1HDAC8

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-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 — — WO disclosed
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