SCHEMBL8720375

SCHEMBL8720375

Nc1ccccc1NCCCCCCCCCCCCNc1ccccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.53
HDAC1 Q13547 6/20 0.53
HDAC2 Q92769 6/20 0.53
NCOR2 Q9Y618 4/20 0.53
PRSS1 P07477 6/20 0.49
HDAC6 Q9UBN7 5/20 0.48
HDAC10 Q969S8 4/20 0.48
HDAC4 P56524 3/20 0.48
HDAC7 Q8WUI4 3/20 0.48
HDAC11 Q96DB2 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC9 Q9UKV0 3/20 0.48
HDAC5 Q9UQL6 3/20 0.48
CHRM2 P08172 1/20 0.46
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6247309 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL215272 0.98 HDAC3 (0.50) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL867417 0.93 PRSS1 (0.47) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL8088625 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL7970465 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL9011310 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL9168077 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL8082845 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL21799596 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1
SCHEMBL7365605 0.90 L3MBTL1 (0.48) HDAC3HDAC1HDAC2NCOR2PRSS1

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-5708123-A FOR USE IN DEVICES WITH AN ELECTROCHROMIC DISPLAY OR ANOTHER ELECTROCHROMIC COLOR CHANGE OR IN BATTERIES NKT RESEARCH CENTER A/S (DK) 1998-01-13 US disclosed