SCHEMBL12966653

SCHEMBL12966653

CCOC(=O)C(C)Oc1ccccc1C(=O)c1ccc(N=NN(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.55
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ABCB1 P08183 3/20 0.38
▸ GRM6 O15303 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ RORA P35398 1/20 0.35
▸ NR5A1 Q13285 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HPGD P15428 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ELANE P08246 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
SCHEMBL12966544 0.86 KMT2A (0.46) MAPTNPC1RAB9AALDH1A1KMT2A
SCHEMBL12966650 0.84 MAPT (0.60) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL12966651 0.81 RAB9A (0.53) MAPTNPC1RAB9AL3MBTL1ABCB1
SCHEMBL12966898 0.78 MAPT (0.53) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL12966897 0.77 MAPT (0.53) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL17988719 0.75 MAPT (0.45) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL12966550 0.75 LMNA (0.46) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL12490357 0.74 STS (0.55) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL8481702 0.74 LMNA (0.52) MAPTNPC1ALDH1A1MEN1KMT2A
SCHEMBL12966900 0.74 MAPT (0.59) MAPTNPC1RAB9AALDH1A1KMT2A

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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