SCHEMBL8303676

SCHEMBL8303676

C=CCc1cc2c(cc1[N+](=O)[O-])NC(=O)CO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 5/20 0.40
POLB P06746 3/20 0.40
PARP1 P09874 3/20 0.39
MMP12 P39900 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
HK1 P19367 1/20 0.36
DNMT1 P26358 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PKM P14618 2/20 0.35
GAA P10253 2/20 0.35

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
SCHEMBL8309098 0.84 PARP1 (0.52) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL8306846 0.81 PARP1 (0.46) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL8307693 0.79 PARP1 (0.43) ALDH1A1MAPTPARP1MMP12KMT2A
SCHEMBL8917238 0.76 NR3C2 (0.44) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL8302706 0.76 MMP12 (0.51) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL30090142 0.76 NR3C2 (0.44) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL8304719 0.74 MMP12 (0.46) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL8307636 0.73 MMP12 (0.51) RAB9AMAPTPOLBPARP1MMP12
SCHEMBL10505987 0.73 RAB9A (0.46) RAB9AALDH1A1MAPTPOLBPARP1
SCHEMBL303131 0.73 MMP12 (0.44) RAB9AALDH1A1MAPTPOLBPARP1

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