SCHEMBL7742754

SCHEMBL7742754

O=c1[nH]c2cc(Cl)c(-c3ccccc3)cc2cc1P(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 6/20 0.42
PRKAB1 Q9Y478 6/20 0.42
PRKAA2 P54646 5/20 0.42
PRKAA1 Q13131 3/20 0.42
PRKAB2 O43741 2/20 0.42
PRKAG3 Q9UGI9 2/20 0.42
PRKAG2 Q9UGJ0 2/20 0.42
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 1/20 0.38
HPN P05981 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
F7 P08709 1/20 0.38
PRSS3 P35030 1/20 0.38
GRIK1 P39086 1/20 0.37
FASN P49327 1/20 0.37
GPR84 Q9NQS5 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
SCHEMBL7741244 0.88 PTGES (0.40) PRKAG1PRKAB1PRKAA1FASN
SCHEMBL6935464 0.87 PRKAG1 (0.43) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL7740551 0.87 PRKAG1 (0.43) PRKAG1PRKAB1PRKAA1FASN
SCHEMBL6940851 0.84 TNKS (0.39) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL28747976 0.84 PRKAG1 (0.37) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL7739877 0.84 RHEB (0.43) PRKAG1PRKAB1PRKAA1FASN
SCHEMBL7734991 0.84 GRIN2D (0.44)
SCHEMBL7741098 0.83 PTGS2 (0.38) PRKAG1PRKAB1PRKAA1
SCHEMBL7741263 0.83 GRIA1 (0.41)
SCHEMBL7742964 0.83 GRIN2D (0.40) PRKAG1PRKAB1PRKAA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420386-B1 SPINAL TRAUMATISM, EPILEPSY, CHRONIC NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, SCHIZOPHRENIA, LATERAL AMYOTROPHIC SCLEROSIS OR HUNTINGTON'S CHOREA. LES LABORATORIES SERVIER (FR) 2002-07-16 US disclosed
JP-2001278890-A ARYL OR HETEROARYLQUNOLINYLPHOSPHONIC ACID COMPOUND, METHOD FOR PRODUCING THE SAME AND MEDICINAL COMPOSITION CONTAINING THE SAME ADIR 2001-10-10 JP disclosed