SCHEMBL17801013

SCHEMBL17801013

Nc1ccccc1NC(=O)c1ccc2c(c1)c(Br)nn2C1CCCCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 15/20 0.42
HDAC2 Q92769 14/20 0.42
HDAC3 O15379 12/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
DGAT2 Q96PD7 1/20 0.41
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL4079306 0.81 NPC1 (0.41) DGAT2
SCHEMBL18548025 0.78 DGAT2 (0.40) DGAT2MAPK1
SCHEMBL17801061 0.75 KMT2A (0.38) DGAT2MAPT
SCHEMBL22160453 0.74 CYP4F2 (0.39)
SCHEMBL5378173 0.74 RAB9A (0.41) MAPTMAPK1
SCHEMBL30182911 0.74 MAPT (0.38) DGAT2MAPTMAPK1
SCHEMBL29363550 0.74 MAP3K5 (0.37) DGAT2
SCHEMBL17801031 0.73 CNR2 (0.35) DGAT2
SCHEMBL30950223 0.72 CYP4F2 (0.39) DGAT2MAPTMAPK1
SCHEMBL20030949 0.72 RXRA (0.36) DGAT2MAPTMAPK1

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-2016089977-A1 SUBSTITUTED INDAZOLE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH CELGENE CORPORATION (US) 2016-06-09 WO disclosed