SCHEMBL8306326

SCHEMBL8306326

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 5/20 0.35
POLB P06746 3/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR3C2 P08235 1/20 0.34
PARP1 P09874 2/20 0.34
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
MMP12 P39900 1/20 0.33
TDP2 O95551 1/20 0.32
CASP7 P55210 1/20 0.32
CASP9 P55211 1/20 0.32
CASP6 P55212 1/20 0.32
CASP8 Q14790 1/20 0.32
XDH P47989 1/20 0.32

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
SCHEMBL8308025 0.83 PARP1 (0.45) RAB9AALDH1A1MAPTPOLBMITF
SCHEMBL8307065 0.81 PARP1 (0.40) RAB9AALDH1A1MAPTPOLBMITF
SCHEMBL8301771 0.79 NR3C2 (0.37) ALDH1A1MAPTLMNASMN1; SMN2NR3C2
SCHEMBL6429325 0.76 NR3C2 (0.50) RAB9AALDH1A1MAPTPOLBMITF
SCHEMBL8305014 0.73 NR3C2 (0.39) RAB9AALDH1A1MAPTPOLBMITF
SCHEMBL1137413 0.73 ALDH1A1 (0.47) RAB9AALDH1A1MAPTPOLBMITF
SCHEMBL30417452 0.73 ALDH1A1 (0.47) RAB9AALDH1A1MAPTPOLBMITF
SCHEMBL8303676 0.72 RAB9A (0.41) RAB9AALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL5106174 0.72 TXNRD1 (0.43) RAB9AALDH1A1MAPTLMNAHTT
SCHEMBL8304724 0.70 DRD2 (0.34) NR3C2PARP1

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