SCHEMBL3639318

SCHEMBL3639318

COc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1.O=C(Nc1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.64
▸ GAA P10253 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ RAB9A P51151 1/20 0.64
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL4256963 0.88 MEN1 (0.64) MEN1KMT2A
SCHEMBL3641085 0.87 RAB9A (0.83) LMNAGAAMAPTRAB9AMEN1
SCHEMBL3642861 0.84 RAB9A (0.68) LMNAGAAMAPTRAB9A
SCHEMBL3646031 0.83 — —
SCHEMBL1455286 0.80 KMT2A (0.90) LMNAGAAMAPTRAB9AMEN1
SCHEMBL3644090 0.79 LMNA (0.58) LMNAGAAMAPTRAB9AMEN1
SCHEMBL3645711 0.78 JAK2 (0.64) —
SCHEMBL3645551 0.78 — —
SCHEMBL28809368 0.78 MEN1 (0.64) LMNAGAAMAPTRAB9AMEN1
SCHEMBL3638996 0.78 MAPT (0.76) LMNAGAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2182935-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. Hoffmann-Roche AG (CH) 2010-05-12 — — EP disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
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