SCHEMBL7734973

SCHEMBL7734973

CCC(C)OP(=O)(O)c1cc2cc(-c3cccc([N+](=O)[O-])c3)c(Cl)cc2[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
MAPT P10636 5/20 0.36
F7 P08709 1/20 0.35
F3 P13726 1/20 0.35
ALDH1A1 P00352 3/20 0.35
PGR P06401 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
MEN1 O00255 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
SCHEMBL7742775 0.91 CYP1A2 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7740615 0.86 PRKAG1 (0.36)
SCHEMBL7739851 0.85 PRKAG1 (0.38)
SCHEMBL7734991 0.84 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7741259 0.83 PRKAG1 (0.35) SMN1; SMN2GAAAKR1C3AKR1C2MAPT
SCHEMBL7734964 0.82 ALDH1A1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7741122 0.82 PRKAG1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6922994 0.82 CA12 (0.37) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7739647 0.81 PRKAG1 (0.38) MAPK1KMT2A
SCHEMBL7741420 0.80 CHRNA7 (0.36) 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