SCHEMBL10027982

SCHEMBL10027982

CCOCOc1ccc(C(c2ccc(C)c(NC(=O)c3ccccc3)c2)(C(F)(F)F)C(F)(F)F)cc1NC(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.54
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPK14 Q16539 1/20 0.42
▸ CREBBP Q92793 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AHR P35869 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1876356 0.95 HTT (0.59) HTTHDAC1HDAC8HDAC6KDM4E
SCHEMBL13955820 0.76 KCNMA1 (0.52) HTTHDAC1HDAC8HDAC6HPGD
SCHEMBL13213971 0.75 MEN1 (0.57) HTTHDAC1HDAC8HDAC6KDM4E
SCHEMBL10027983 0.74 NPC1 (0.55) KDM4EALDH1A1HPGDKMT2AGAA
SCHEMBL13213970 0.74 HTT (0.56) HTTHDAC1HDAC8HDAC6KDM4E
SCHEMBL13645904 0.74 MAPK14 (0.45) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL1273833 0.74 GAA (0.70) HTTHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL13213988 0.73 KMT2A (0.52) HTTHDAC1HDAC8HDAC6ALDH1A1
SCHEMBL413038 0.72 NPC1 (0.61) HDAC1HDAC8HDAC6KDM4EALDH1A1
SCHEMBL8410525 0.72 HDAC1 (0.50) HDAC1HDAC8HDAC6KDM4EALDH1A1

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
US-20120021357-A1 POSITIVE-TYPE PHOTOSENSITIVE INSULATING RESIN COMPOSITION, AND PATTERN FORMING METHOD USING SAME NEC CORPORATION (JP) 2012-01-26 — — US disclosed
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