SCHEMBL8306241

SCHEMBL8306241

Cc1cc2c(c(C)c1N)NC(=O)CO2

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.48
MMP12 P39900 1/20 0.45
PARP1 P09874 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 6/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 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
SCHEMBL21001383 0.82 NR3C2 (0.47) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL6432532 0.78 NR3C2 (0.56) NR3C2MMP12PARP1MAPTALDH1A1
SCHEMBL8302818 0.77 NR3C2 (0.43) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL17348473 0.76 NR3C2 (0.57) NR3C2MMP12PARP1TP53ALDH1A1
SCHEMBL3342262 0.73 MMP12 (0.57) MMP12PARP1PDE3BPDE3ATP53
SCHEMBL1285219 0.73 MMP12 (0.45) NR3C2MMP12PARP1PDE3BPDE3A
SCHEMBL8306003 0.73 NR3C2 (0.38) NR3C2MMP12PDE3BPDE3ATP53
SCHEMBL8302723 0.72 PARP1 (0.44) NR3C2MMP12PARP1MAPTALDH1A1
SCHEMBL2953764 0.72 MMP12 (0.64) MMP12PARP1PDE3BPDE3ATP53
SCHEMBL14280509 0.71 MMP12 (0.43) NR3C2MMP12PARP1PDE3BPDE3A

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