SCHEMBL8305014

SCHEMBL8305014

CC(C)c1c([N+](=O)[O-])ccc2c1NC(=O)CO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.39
MMP12 P39900 1/20 0.38
POLB P06746 2/20 0.37
RAB9A P51151 1/20 0.37
PARP1 P09874 1/20 0.36
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
RAF1 P04049 1/20 0.32
BRAF P15056 1/20 0.32
KMT2A Q03164 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
SCHEMBL6429325 0.82 NR3C2 (0.50) NR3C2MMP12POLBRAB9APARP1
SCHEMBL16746129 0.79 MMP12 (0.43) NR3C2MMP12RAB9APARP1ALDH1A1
SCHEMBL8308025 0.78 PARP1 (0.45) NR3C2MMP12POLBRAB9APARP1
SCHEMBL8304103 0.77 NR3C2 (0.42) NR3C2MMP12RAB9APARP1ALDH1A1
SCHEMBL8307065 0.76 PARP1 (0.40) NR3C2MMP12POLBRAB9APARP1
SCHEMBL30417452 0.76 ALDH1A1 (0.47) NR3C2POLBRAB9AALDH1A1MAPT
SCHEMBL1137413 0.76 ALDH1A1 (0.47) NR3C2POLBRAB9AALDH1A1MAPT
SCHEMBL8306326 0.73 RAB9A (0.37) NR3C2MMP12POLBRAB9APARP1
SCHEMBL8304719 0.71 MMP12 (0.46) NR3C2MMP12POLBRAB9APARP1
SCHEMBL6427525 0.70 ALDH1A1 (0.40) MMP12POLBRAB9ATXNRD1TXNRD3

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