SCHEMBL12966650

SCHEMBL12966650

CCOC(=O)C(C)Oc1ccc(C(=O)c2ccc(N=NN(C)C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ LMNA P02545 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ KMT2A Q03164 4/20 0.44
▸ EPHX2 P34913 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ELANE P08246 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH2 P05091 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ ACR P10323 1/20 0.35

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
SCHEMBL12966897 0.88 MAPT (0.53) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL12966900 0.87 MAPT (0.59) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL12966652 0.86 MAPT (0.51) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL12966626 0.85 MAPT (0.48) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL47287 0.85 MAPT (0.48) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL12966898 0.84 MAPT (0.53) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL12966653 0.84 MAPT (0.55) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL12967067 0.81 NPC1 (0.52) MAPTNPC1RAB9AALDH1A1ALDH2
SCHEMBL47175 0.80 MAPT (0.62) MAPTNPC1RAB9ALMNAL3MBTL1
SCHEMBL41666 0.79 MAPT (0.43) MAPTNPC1RAB9ALMNAALDH1A1

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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