SCHEMBL7739877

SCHEMBL7739877

N#Cc1ccc(-c2cc3cc(P(=O)(O)O)c(=O)[nH]c3cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.43
IDH1 O75874 3/20 0.37
PRKAG1 P54619 1/20 0.37
PRKAA1 Q13131 1/20 0.37
PRKAB1 Q9Y478 1/20 0.37
PRSS12 P56730 1/20 0.37
MAPK10 P53779 1/20 0.34
IDO1 P14902 1/20 0.34
FASN P49327 1/20 0.34
MAP2 P11137 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
SCHEMBL6935464 0.84 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1
SCHEMBL7740551 0.84 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1FASN
SCHEMBL7742754 0.84 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1FASN
SCHEMBL7741113 0.83 IDH1 (0.41) RHEBIDH1PRKAG1PRKAA1PRKAB1
SCHEMBL7741121 0.82 IDH1 (0.36) RHEBIDH1PRKAG1PRKAA1PRKAB1
SCHEMBL28747976 0.81 PRKAG1 (0.37) PRKAG1PRKAA1PRKAB1
SCHEMBL6940851 0.81 TNKS (0.39) PRKAG1PRKAA1PRKAB1
SCHEMBL7741098 0.81 PTGS2 (0.38) PRKAG1PRKAA1PRKAB1
SCHEMBL7741263 0.81 GRIA1 (0.41)
SCHEMBL7741244 0.80 PTGES (0.40) PRKAG1PRKAA1PRKAB1FASN

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