SCHEMBL23051964

SCHEMBL23051964

CC(C)C(C)NC(=O)c1cc(-c2cccc(-c3ncc(C(=O)NC(C4CC4)C4CC4)o3)c2)nn1CC(C)(C)O

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 2/20 0.34
▸ USP30 Q70CQ3 1/20 0.33
▸ PHGDH O43175 3/20 0.33
▸ MMEL1 Q495T6 1/20 0.32
▸ MET P08581 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ ALPL P05186 2/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ PIN1 Q13526 3/20 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
SCHEMBL23041497 0.92 MME (0.36) MMEUSP30PHGDHMMEL1PIN1
SCHEMBL23041387 0.92 MME (0.36) MMEUSP30PHGDHMMEL1PIN1
SCHEMBL23041388 0.92 MME (0.36) MMEUSP30PHGDHMMEL1PIN1
SCHEMBL23041498 0.92 MME (0.36) MMEUSP30PHGDHMMEL1PIN1
SCHEMBL29707782 0.91 MME (0.37) MMEUSP30PHGDHMMEL1MET
SCHEMBL23041607 0.91 MME (0.37) MMEUSP30PHGDHMMEL1MET
SCHEMBL23051965 0.90 CNR2 (0.34) MMEUSP30PHGDHMMP13
SCHEMBL28721016 0.90 CNR2 (0.34) MMEUSP30PHGDHMMP13
SCHEMBL23041442 0.90 PHGDH (0.35) MMEUSP30PHGDHMMEL1MET
SCHEMBL23041445 0.90 PHGDH (0.35) MMEUSP30PHGDHMMEL1MET

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-2021038426-A1 SUBSTITUTED 1,3-PHENYL HETEROARYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-03-04 — — WO disclosed
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