SCHEMBL7741244

SCHEMBL7741244

O=c1[nH]c2cc(Cl)c(-c3ccc4ccccc4c3)cc2cc1P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.40
GSTP1 P09211 1/20 0.40
FASN P49327 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PRKAG1 P54619 2/20 0.38
PRKAA1 Q13131 2/20 0.38
PRKAB1 Q9Y478 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE9A O76083 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL7742754 0.88 PRKAG1 (0.42) FASNPRKAG1PRKAA1PRKAB1
SCHEMBL7740551 0.83 PRKAG1 (0.43) FASNPRKAG1PRKAA1PRKAB1KMT2A
SCHEMBL6935464 0.83 PRKAG1 (0.43) PTGESGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL7741254 0.82 PTGES (0.37) PTGESGSTP1FASNGRIN2DGRIN3B
SCHEMBL7741259 0.82 PRKAG1 (0.35) PTGESFASNPRKAG1PRKAA1PRKAB1
SCHEMBL28747976 0.80 PRKAG1 (0.37) PRKAG1PRKAA1PRKAB1
SCHEMBL7739877 0.80 RHEB (0.43) FASNPRKAG1PRKAA1PRKAB1
SCHEMBL6940851 0.80 TNKS (0.39) PTGESPRKAG1PRKAA1PRKAB1
SCHEMBL7734991 0.80 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7741263 0.79 GRIA1 (0.41) MEN1KMT2A

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