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
Nitrogen SCHEMBL27548156 0.77 CDK5 (0.36) —
SCHEMBL7068983 0.77 PARP1 (0.43) GAA
SCHEMBL6928804 0.77 TRPV4 (0.31) —
SCHEMBL6923612 0.77 CA1 (0.36) KDM4EALDH1A1POLB
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
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