SCHEMBL26632145

SCHEMBL26632145

C[C@@H]1C[C@H](NC(=O)O)CN(c2cc(CO)ncc2[N+](=O)[O-])C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.37
▸ ALDH1A1 P00352 6/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CSF1R P07333 1/20 0.33
▸ GPR174 Q9BXC1 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL26632117 0.91 MAPT (0.36) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL26632137 0.88 MAPT (0.39) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL30628525 0.87 EIF2AK4 (0.42) MAPTALDH1A1LMNAHPGDKMT2A
SCHEMBL26632154 0.87 CHRM4 (0.41) MAPTALDH1A1LMNA
SCHEMBL26632120 0.86 MAPT (0.37) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL26632164 0.85 CHRM4 (0.41) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL26632149 0.85 MAPT (0.37) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL26632155 0.84 MAPT (0.37) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL26632139 0.84 CHRM4 (0.41) MAPTALDH1A1LMNAHPGDMEN1
SCHEMBL26632114 0.83 MAPT (0.36) MAPTALDH1A1LMNAHPGDMEN1

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-2023211256-A1 NOVEL PIM KINASE INHIBITORS AND USES THEREOF 제일약품주식회사 2023-11-02 — — WO disclosed
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