SCHEMBL7741121

SCHEMBL7741121

CCC(C)OP(=O)(O)c1cc2cc(-c3ccc(C#N)cc3)c(Cl)cc2[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.36
RHEB Q15382 1/20 0.35
PTGES O14684 1/20 0.34
PRKAG1 P54619 5/20 0.33
PRKAA1 Q13131 5/20 0.33
PRKAB1 Q9Y478 5/20 0.33
PRKAB2 O43741 4/20 0.33
PRKAA2 P54646 4/20 0.33
PRKAG3 Q9UGI9 4/20 0.33
PRKAG2 Q9UGJ0 4/20 0.33
PGR P06401 1/20 0.33
GRIN1 Q05586 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL7741122 0.89 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7739851 0.88 PRKAG1 (0.38) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7739647 0.88 PRKAG1 (0.38) PTGESPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL7740615 0.88 PRKAG1 (0.36) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7740618 0.85 PTGES (0.38) PTGESPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL7741420 0.85 CHRNA7 (0.36) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7742775 0.85 CYP1A2 (0.40) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL7741259 0.84 PRKAG1 (0.35) PTGESPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL7742690 0.83 PTGES (0.35) PTGESPRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL7739877 0.82 RHEB (0.43) IDH1RHEBPRKAG1PRKAA1PRKAB1

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 1 patent. 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