SCHEMBL12966897

SCHEMBL12966897

CCOC(=O)C(C)Oc1ccc(Cc2ccc(N=NN(C)C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ KMT2A Q03164 2/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ LTA4H P09960 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH2 P05091 1/20 0.35
▸ IDH1 O75874 1/20 0.35
▸ CES2 O00748 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ OPRK1 P41145 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL12966650 0.88 MAPT (0.60) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL12966537 0.86 CYP1A2 (0.46) MAPTNPC1RAB9AEPHX2GAA
SCHEMBL12966652 0.86 MAPT (0.51) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL11626154 0.78 EPHX2 (0.66) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL12966653 0.77 MAPT (0.55) MAPTNPC1RAB9AL3MBTL1LMNA
SCHEMBL14518118 0.75 LMNA (0.64) MAPTL3MBTL1LMNAKMT2AEPHX2
SCHEMBL12966900 0.75 MAPT (0.59) MAPTNPC1RAB9ALMNAKMT2A
SCHEMBL1453865 0.74 LMNA (0.62) MAPTL3MBTL1LMNAKMT2AEPHX2
SCHEMBL2475726 0.73 LMNA (0.50) MAPTNPC1RAB9ALMNAALDH1A1
SCHEMBL12611654 0.73 LMNA (0.61) MAPTL3MBTL1LMNAKMT2AEPHX2

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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