SCHEMBL16730754

SCHEMBL16730754

CN(C)c1ccc(-c2cnc(-c3ccc(CNCCC(=O)NCCOCCOCCCCCCCl)cc3)[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 12/20 0.40
HDAC2 Q92769 10/20 0.40
HDAC10 Q969S8 10/20 0.40
HDAC8 Q9BY41 10/20 0.40
HDAC6 Q9UBN7 10/20 0.40
HDAC3 O15379 9/20 0.40
HDAC4 P56524 9/20 0.40
HDAC7 Q8WUI4 9/20 0.40
HDAC11 Q96DB2 9/20 0.40
HDAC9 Q9UKV0 9/20 0.40
HDAC5 Q9UQL6 9/20 0.40
ERBB2 P04626 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
GAS6 Q14393 1/20 0.32
CACNA1G O43497 1/20 0.32
PTGES O14684 1/20 0.31
RIPK2 O43353 1/20 0.31

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
SCHEMBL4433199 0.86 MAPT (0.39)
SCHEMBL18677725 0.77 HDAC1 (0.30) HDAC1
SCHEMBL18950705 0.70 MAPT (0.43)
SCHEMBL997019 0.68 HTR6 (0.40)
SCHEMBL26198409 0.66 HDAC3 (0.41) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL26198400 0.65 HDAC3 (0.42) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL26198419 0.65 CA12 (0.42) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL26198604 0.65 HDAC3 (0.42) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL18950706 0.64 HDAC1 (0.34) HDAC1HDAC2HDAC10HDAC8HDAC6
SCHEMBL26198597 0.63 HDAC6 (0.36) HDAC1HDAC2HDAC10HDAC8HDAC6

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-20150140587-A1 METHOD OF IMMOBILIZING A PROTEIN OR MOLECULE VIA A MUTANT DEHALOGENASE THAT IS BOUND TO AN IMMOBILIZED DEHALOGENASE SUBSTRATE AND LINKED DIRECTLY OR INDIRECTLY TO THE PROTEIN OR MOLECULE PROMEGA CORP (US) 2015-05-21 US disclosed