SCHEMBL8308025

SCHEMBL8308025

CCc1c([N+](=O)[O-])ccc2c1NC(=O)CO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.45
RAB9A P51151 1/20 0.39
NR3C2 P08235 3/20 0.39
MMP12 P39900 1/20 0.38
ALDH1A1 P00352 3/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 4/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
PKM P14618 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33

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
SCHEMBL8307065 0.90 PARP1 (0.40) PARP1RAB9ANR3C2MMP12ALDH1A1
SCHEMBL8306326 0.83 RAB9A (0.37) PARP1RAB9ANR3C2MMP12ALDH1A1
SCHEMBL6429325 0.82 NR3C2 (0.50) PARP1RAB9ANR3C2MMP12ALDH1A1
SCHEMBL8305014 0.78 NR3C2 (0.39) PARP1RAB9ANR3C2MMP12ALDH1A1
SCHEMBL8305659 0.77 PARP1 (0.41) PARP1RAB9ANR3C2MMP12ALDH1A1
SCHEMBL8301749 0.77 PARP1 (0.49) PARP1NR3C2MMP12ALDH1A1GAA
SCHEMBL1137413 0.76 ALDH1A1 (0.47) RAB9ANR3C2ALDH1A1POLBMAPT
SCHEMBL30417452 0.76 ALDH1A1 (0.47) RAB9ANR3C2ALDH1A1POLBMAPT
SCHEMBL8309098 0.71 PARP1 (0.52) PARP1RAB9ANR3C2MMP12ALDH1A1
SCHEMBL6427525 0.70 ALDH1A1 (0.40) RAB9AMMP12ALDH1A1POLBTXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0548254-B1 6- OR 7-(IMIDAZOLIDIN-2-YLIDENEAMINO)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN INC (US) 1999-06-02 EP disclosed
EP-0548254-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1993-06-30 EP disclosed
WO-1992004345-A1 6- or 7- (2-IMINO-2-IMIDAZOLIDINE)-1,4-BENZOXAZINES AS ALPHA ADRENERGIC AGENTS ALLERGAN, INC. (US) 1992-03-19 WO disclosed
US-5091528-A Antiglaucoma, antidiarrhea agents, diuretics, vasoconstrictors ALLERGAN, INC. (US) 1992-02-25 US disclosed