SCHEMBL18112917

SCHEMBL18112917

CCC1CC(=O)C(=Cc2ccc(N=[N+]=[N-])cc2)C(=Cc2ccc(N=[N+]=[N-])cc2)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PTGS2 P35354 2/20 0.31
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA5B Q9Y2D0 1/20 0.31

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
SCHEMBL13737945 0.88 MAPT (0.50) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL17079841 0.88 MAPT (0.50) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL13737944 0.88 MAPT (0.50) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL17625266 0.84 MAPT (0.46) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL27641557 0.84 MAPT (0.36) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL16280615 0.83 MAPT (0.41) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL17203062 0.76 AKR1C3 (0.46) MAPTALDH1A1HTTRAB9AHSP90AA1
SCHEMBL17203060 0.76 AKR1C3 (0.46) MAPTALDH1A1HTTRAB9AHSP90AA1
SCHEMBL28506358 0.75 MAPT (0.43) LMNAMAPTALDH1A1HTTRAB9A
SCHEMBL13882616 0.73 MAPT (0.55) LMNAMAPTALDH1A1HTTRAB9A

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
WO-2016161367-A1 POLYMERIC MATERIALS FOR ELECTROCHEMICAL CELLS AND ION SEPARATION PROCESSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-10-06 — — WO claimed
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