SCHEMBL12966898

SCHEMBL12966898

CCOC(=O)C(C)Oc1c(Br)cc(C(=O)c2ccc(N=NN(C)C)cc2)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ TSHR P16473 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 5/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ HPGD P15428 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ACHE P22303 2/20 0.32
▸ CES2 O00748 1/20 0.32
▸ CES1 P23141 1/20 0.32
▸ GRM6 O15303 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
SCHEMBL12966543 0.87 NPC1 (0.42) MAPTNPC1RAB9ATSHRMAPK1
SCHEMBL12966650 0.84 MAPT (0.60) MAPTNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL12966653 0.78 MAPT (0.55) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL12966622 0.75 NPC1 (0.44) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL12966900 0.74 MAPT (0.59) MAPTNPC1RAB9ATSHRTDP1
SCHEMBL12966623 0.73 NPC1 (0.42) MAPTNPC1RAB9AALDH1A1HPGD
SCHEMBL12966897 0.73 MAPT (0.53) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL12966652 0.71 MAPT (0.51) MAPTNPC1RAB9AL3MBTL1GAA
SCHEMBL47175 0.70 MAPT (0.62) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL12966626 0.69 MAPT (0.48) MAPTNPC1RAB9AGAAHTT

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-2012130850-A1 TISSUE TARGETING BY MEANS OF ONCOCIDAL BRIDGED DIPHENYL DERIVATIVES FOR THE SELECTIVE TREATMENT OF SEXUAL ORGAN TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — WO disclosed
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