SCHEMBL28665586

SCHEMBL28665586

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 3/20 0.35
▸ CREBBP Q92793 1/20 0.34
▸ PPARG P37231 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ GSTP1 P09211 1/20 0.33
▸ GSTM2 P28161 1/20 0.33
▸ ITGA4 P13612 1/20 0.33
▸ ITGB7 P26010 1/20 0.33
▸ BCL2 P10415 5/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ JAK2 O60674 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL29684374 1.00 PPARA (0.35) PPARACREBBPPPARGCTSSGSTP1
SCHEMBL22411874 0.88 CREBBP (0.37) CREBBPGAAMEN1KMT2A
SCHEMBL28687446 0.83 ALDH1A1 (0.42) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL31172085 0.83 ALDH1A1 (0.42) PPARAPPARGCTSSGSTP1GSTM2
SCHEMBL28665584 0.83 CREBBP (0.35) CREBBPGAAMEN1KMT2A
SCHEMBL31681403 0.79 — —
SCHEMBL22411929 0.79 — —
SCHEMBL22412042 0.79 CREBBP (0.36) CREBBPGAAMEN1KMT2A
SCHEMBL22412040 0.79 CREBBP (0.36) CREBBPGAAMEN1KMT2A
SCHEMBL31172072 0.79 CREBBP (0.36) CREBBPGAAMEN1KMT2A

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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