SCHEMBL8302818

SCHEMBL8302818

Cc1cc2c(c(C)c1[N+](=O)[O-])NC(=O)CO2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.43
MMP12 P39900 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PARP1 P09874 1/20 0.35
PKM P14618 5/20 0.34
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 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
SCHEMBL8306241 0.77 NR3C2 (0.48) NR3C2MMP12SMN1; SMN2PDE3BPDE3A
SCHEMBL31451522 0.77 MMP12 (0.40) NR3C2MMP12SMN1; SMN2GRIN2DGRIN3B
SCHEMBL21001383 0.76 NR3C2 (0.47) NR3C2MMP12SMN1; SMN2PDE3BPDE3A
SCHEMBL19751466 0.75 MMP12 (0.44) NR3C2MMP12SMN1; SMN2GRIN2DGRIN3B
SCHEMBL6429325 0.75 NR3C2 (0.50) NR3C2MMP12SMN1; SMN2PARP1PKM
SCHEMBL8305659 0.74 PARP1 (0.41) NR3C2MMP12GRIN2DGRIN3BGRIN1
SCHEMBL8302706 0.72 MMP12 (0.51) MMP12SMN1; SMN2PDE3BPDE3APARP1
SCHEMBL8303253 0.71 PARP1 (0.36) NR3C2MMP12GRIN2DGRIN3BGRIN1
SCHEMBL17348473 0.70 NR3C2 (0.57) NR3C2MMP12SMN1; SMN2PARP1PKM
SCHEMBL16972790 0.70 ALDH1A1 (0.43) NR3C2MMP12PKMMAPTALDH1A1

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