SCHEMBL18138349

SCHEMBL18138349

Cn1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ BRD9 Q9H8M2 1/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PRMT1 Q99873 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ SLC29A1 Q99808 1/20 0.35
▸ ATR Q13535 1/20 0.34
▸ ALOX5 P09917 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL21753654 0.80 L3MBTL1 (0.42) L3MBTL1MAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL20276702 0.79 LMNA (0.47) BRD9IRAK4GSK3BDYRK1ALMNA
SCHEMBL22857997 0.78 CNR2 (0.53) L3MBTL1KMT2ABRD9IRAK4GSK3B
SCHEMBL31437491 0.77 LMNA (0.40) BRD9IRAK4GSK3BDYRK1ALMNA
SCHEMBL20262443 0.77 IRAK4 (0.41) BRD9IRAK4GSK3BDYRK1ALMNA
SCHEMBL22857998 0.76 IRAK4 (0.45) L3MBTL1BRD9IRAK4GSK3BDYRK1A
SCHEMBL27457954 0.75 GSK3B (0.40) BRD9IRAK4GSK3BDYRK1ALMNA
SCHEMBL27457955 0.75 ATR (0.39) BRD9IRAK4GSK3BDYRK1ALMNA
SCHEMBL31439890 0.74 GSK3B (0.39) ALDH1A1BRD9IRAK4GSK3BDYRK1A
SCHEMBL31555029 0.74 IRAK4 (0.41) IRAK4

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-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
Send feedback