SCHEMBL8301735

SCHEMBL8301735

N=C1NCCN1c1cc2c(cc1Br)NC(=O)CO2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 4/20 0.37
TRPV1 Q8NER1 1/20 0.36
PARP1 P09874 1/20 0.36
HPGD P15428 1/20 0.36
NR3C2 P08235 4/20 0.35
PKM P14618 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 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
SCHEMBL8306454 0.95 MMP12 (0.38) MMP12MAPTTP53THRBKMT2A
Bromide SCHEMBL8305153 0.94 MAPT (0.37) MMP12MAPTTP53THRBKMT2A
SCHEMBL8303991 0.85 MAPT (0.48) MMP12MAPTTP53THRBKMT2A
SCHEMBL8307617 0.83 PARP1 (0.45) MMP12MAPTTP53THRBKMT2A
SCHEMBL8302741 0.83 TP53 (0.46) MMP12MAPTTP53THRBKMT2A
SCHEMBL8303332 0.81 PARP1 (0.45) MMP12MAPTTP53THRBKMT2A
SCHEMBL8304614 0.81 PARP1 (0.35) MMP12MAPTTP53THRBKMT2A
SCHEMBL8304048 0.80 ALDH1A1 (0.37) MAPTALDH1A1HPGDGAAPDE3B
SCHEMBL8301805 0.78 PARP1 (0.35) MMP12MAPTTP53THRBKMT2A
SCHEMBL8304593 0.78 PARP1 (0.40) MMP12MAPTTP53THRBKMT2A

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