SCHEMBL28665584

SCHEMBL28665584

C[C@H](COCc1cc([N+](=O)[O-])c2cnn(C)c2c1)OC(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 1/20 0.35
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ PKM P14618 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
SCHEMBL29684374 0.83 PPARA (0.35) CREBBPGAAMEN1KMT2A
SCHEMBL28665586 0.83 PPARA (0.35) CREBBPGAAMEN1KMT2A
SCHEMBL28687444 0.82 ALDH1A1 (0.43) SCN9A
SCHEMBL22411874 0.81 CREBBP (0.37) CREBBPGAAMEN1KMT2ACYP3A4
SCHEMBL31172072 0.80 CREBBP (0.36) CREBBPGAAMEN1KMT2ACYP3A4
SCHEMBL22412040 0.80 CREBBP (0.36) CREBBPGAAMEN1KMT2ACYP3A4
SCHEMBL22412042 0.80 CREBBP (0.36) CREBBPGAAMEN1KMT2ACYP3A4
SCHEMBL22411925 0.71 CREBBP (0.46) CREBBPGAAMEN1KMT2ACYP3A4
SCHEMBL28929792 0.70 SCN9A (0.32) SCN9A
SCHEMBL22411929 0.69 — —

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-113811534-A TYK2 inhibitors and uses thereof 埃斯克疗法股份有限公司 2021-12-17 — — CN disclosed
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