SCHEMBL21940706

SCHEMBL21940706

CC(C)(C)OC(=O)N1CC2(Cc3ccccc3[C@@H]2N[S+]([O-])C(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ DDB1 Q16531 1/20 0.38
▸ CRBN Q96SW2 1/20 0.38
▸ ROCK2 O75116 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RORC P51449 2/20 0.35
▸ USP30 Q70CQ3 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ TAOK3 Q9H2K8 1/20 0.34
▸ STS P08842 1/20 0.34

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
SCHEMBL21940884 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL29505983 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL29506056 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL23046045 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL29506011 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL23046046 1.00 NAMPT (0.40) NAMPTMAPK1DDB1CRBNROCK2
SCHEMBL22054837 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM
SCHEMBL22440518 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM
SCHEMBL23902047 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM
SCHEMBL21397495 0.91 ATM (0.41) NAMPTMAPK1GPR119KDM4EPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3867238-B1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC (US) 2023-06-07 — — EP disclosed
WO-2020081848-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2020-04-23 — — WO disclosed
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