SCHEMBL6938546

SCHEMBL6938546

CCOP(=O)(OCC)c1cc2cc([N+]#N)c(C(F)(F)F)cc2[nH]c1=O.F[B-](F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6935891 0.86
SCHEMBL6937720 0.85 GRIN2D (0.37) KDM4EALDH1A1HPGD
SCHEMBL6928527 0.80 PARP1 (0.40)
SCHEMBL7735087 0.78 NTRK1 (0.35) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6923612 0.77 CA1 (0.36) KDM4EALDH1A1POLB
SCHEMBL7068983 0.77 PARP1 (0.43) GAA
SCHEMBL6928804 0.77 TRPV4 (0.31)
Nitrogen SCHEMBL27548156 0.77 CDK5 (0.36)
SCHEMBL7740361 0.76 GRIA1 (0.54)
SCHEMBL7648893 0.75 TAS2R14 (0.31)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125940-B1 Derivatives of aryl or heteroaryl quinolinylphosphonic acids, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-15 EP disclosed
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
CN-1317489-A Novel aryl radical or heteroaryl radical quinolyl phosphonate compounds, its preparing method and medical compsn. contg. them ADIR (FR) 2001-10-17 CN disclosed
EP-1125940-A1 Derivatives of aryl or heteroaryl quinolinylphosphonic acids, process for their preparation and pharmaceutical compositions containing them Adir Et Cie (FR) 2001-08-22 EP disclosed