SCHEMBL7734964

SCHEMBL7734964

CCOP(=O)(OCC)c1cc2cc(-c3cccc([N+](=O)[O-])c3)c(Cl)cc2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
RECQL P46063 2/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP2 P08253 1/20 0.37

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
SCHEMBL7742768 0.89 CYP1A2 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7734991 0.85 GRIN2D (0.44) SMN1; SMN2MEN1KMT2AMAPTGRIN2D
SCHEMBL7740612 0.85 PRKAG1 (0.40) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL7739842 0.83 PRKAG1 (0.42) ALDH1A1MEN1KMT2AGRIN2DGRIN3B
SCHEMBL7734973 0.82 GRIN2D (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7741254 0.81 PTGES (0.37) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL7741117 0.80 PRKAG1 (0.37) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL6922992 0.80 GRIN2D (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7739643 0.79 GSK3B (0.37) ALDH1A1KMT2ANPSR1GRIN2DGRIN3B
SCHEMBL7741417 0.78 CA12 (0.39)

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