SCHEMBL12811706

SCHEMBL12811706

O=[N+]([O-])c1ccc(N2c3ccccc3C3C=CC=CC32)cc1-c1c(F)ccc(F)c1-c1cc(-n2c3ccccc3c3ccccc32)ccc1O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ CASP6 P55212 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
SCHEMBL14039078 0.84 CTSB (0.42) CTSBPOLBMAPTAPEX1CASP6
SCHEMBL15139367 0.75 KDM4E (0.34) —
SCHEMBL13973669 0.74 KDM4E (0.33) —
SCHEMBL12811684 0.74 CTSB (0.43) CTSBPOLBMAPTAPEX1CASP6
SCHEMBL12811693 0.73 CTSB (0.42) CTSBPOLBMAPTAPEX1CASP6
SCHEMBL19157434 0.72 KDM4E (0.30) —
SCHEMBL11929498 0.72 KDM4E (0.40) —
SCHEMBL14039053 0.72 MAPT (0.36) CTSBPOLBMAPTAPEX1CASP6
SCHEMBL12811346 0.71 CTSB (0.40) CTSBPOLBMAPTAPEX1CASP6
SCHEMBL22694301 0.71 KDM4E (0.43) —

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
EP-2301921-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME Idemitsu Kosan Co., Ltd. (JP) 2011-03-30 — — EP disclosed
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