SCHEMBL5506594

SCHEMBL5506594

CC(C)N1C(=O)Cc2cc([N+](=O)[O-])ccc21.CC(C)N1C(=O)Cc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.47
BMPR1B O00238 1/20 0.41
BMPR1A P36894 1/20 0.41
TGFBR1 P36897 1/20 0.41
ACVRL1 P37023 1/20 0.41
ACVR1 Q04771 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 3/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39

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
SCHEMBL4201836 0.93 KMT2A (0.53) MEN1KMT2AGAAMAPTBMPR1B
SCHEMBL30661549 0.93 KMT2A (0.53) MEN1KMT2AGAAMAPTBMPR1B
SCHEMBL5503760 0.87 KMT2A (0.46) MEN1KMT2AGAAMAPTHTT
SCHEMBL4200813 0.82 NOTUM (0.51) KMT2AGAABMPR1BBMPR1ATGFBR1
SCHEMBL8127050 0.81 SIRT2 (0.49) MEN1KMT2AGAAMAPTLMNA
SCHEMBL5108618 0.81 GAA (0.49) MEN1KMT2AGAAMAPTHTT
SCHEMBL5115938 0.80 GAA (0.48) MEN1KMT2AGAAMAPTLMNA
SCHEMBL5506721 0.80 GAA (0.51) MEN1KMT2AGAAMAPTBMPR1B
SCHEMBL2061340 0.79 CASP6 (0.52) MEN1KMT2AGAAMAPTHTT
SCHEMBL23055602 0.78 MEN1 (0.46) MEN1KMT2AGAAMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1869029-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
EP-1781643-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
EP-1781642-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-05-09 EP disclosed
WO-2006106426-A1 AN OXINDOLE OXAZOLIDINONE AS ANTIBACTERIAL AGENT PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-12 WO disclosed
WO-2006016221-A1 OXAZOLIDINONES CONTAINING OXINDOLES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed
WO-2006016220-A1 OXINDOLE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-02-16 WO disclosed