SCHEMBL7742964

SCHEMBL7742964

O=c1[nH]c2cc(Cl)c(-c3ccsc3)cc2cc1P(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
ADORA3 P0DMS8 1/20 0.36
TMIGD3 P0DMS9 3/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 2/20 0.35
MAOB P27338 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
CHEK1 O14757 1/20 0.33
WEE1 P30291 1/20 0.33
GPR35 Q9HC97 1/20 0.33

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 0.83 PRKAG1 (0.42) PRKAG1PRKAA1PRKAB1
SCHEMBL7742681 0.82 CDK5 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7742690 0.82 PTGES (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7740551 0.81 PRKAG1 (0.43) PRKAG1PRKAA1PRKAB1
SCHEMBL6935464 0.81 PRKAG1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7741244 0.79 PTGES (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7739877 0.78 RHEB (0.43) PRKAG1PRKAA1PRKAB1
SCHEMBL6940851 0.78 TNKS (0.39) CDK5CDK5R1PRKAG1PRKAA1PRKAB1
SCHEMBL28747976 0.78 PRKAG1 (0.37) PRKAG1PRKAA1PRKAB1
SCHEMBL974565 0.77 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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