SCHEMBL8307693

SCHEMBL8307693

C=CCc1cc2c(cc1N)NC(=O)CO2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.43
MMP12 P39900 1/20 0.42
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
TP53 P04637 4/20 0.39
THRB P10828 2/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 2/20 0.38
NR3C2 P08235 3/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL3344322 0.82 PARP1 (0.57) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL24823314 0.81 PARP1 (0.46) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL8303676 0.79 RAB9A (0.41) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL8306915 0.79 PARP1 (0.50) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL8301805 0.76 PARP1 (0.35) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL8304614 0.74 PARP1 (0.35) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL24823313 0.74 MMP12 (0.46) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL7868455 0.73 MMP12 (0.49) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL3342262 0.73 MMP12 (0.57) PARP1MMP12MAPTALDH1A1TP53
SCHEMBL3342717 0.73 MMP12 (0.49) PARP1MMP12MAPTALDH1A1TP53

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