SCHEMBL8551384

SCHEMBL8551384

NC(=O)N(Cc1ccc([N+](=O)[O-])cc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 2/20 0.53
CRHR2 Q13324 2/20 0.53
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
IDO1 P14902 2/20 0.48
AR P10275 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
KLF5 Q13887 1/20 0.44
MC4R P32245 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL5320045 0.86 PARP10 (0.44) RAB9ANPC1ALDH1A1IDO1TDP1
SCHEMBL8550259 0.83 PLA2G10 (0.49) RAB9ANPC1ALDH1A1LMNA
SCHEMBL8545520 0.82 PPIB (0.51) RAB9ANPC1ALDH1A1SMN1; SMN2LMNA
SCHEMBL8547009 0.81 NR3C1 (0.48)
SCHEMBL8545528 0.81 NR3C1 (0.48)
SCHEMBL27752736 0.77 IDO1 (0.56) CRHBPCRHR2RAB9ANPC1CYP1A2
SCHEMBL8549653 0.77 LPAR1 (0.46)
SCHEMBL8550313 0.77 MEN1 (0.49) RAB9ANPC1SMN1; SMN2
SCHEMBL8546552 0.76 MEN1 (0.48)
SCHEMBL6046672 0.76 RAB9A (0.54) CRHBPCRHR2RAB9ANPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1045005-C Novel bisoxadiazolidine derivative YAMANOUCHI PHARMA CO LTD (JP) 1999-09-08 CN disclosed
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
CN-1122133-A Novel bis-oxadiazolidine derivatives YAMANOUCHI PHARMA CO LTD (JP) 1996-05-08 CN disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed