SCHEMBL7109430

SCHEMBL7109430

Nc1c(NC(=O)CCCC(=O)O)cnn1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TSHR P16473 3/20 0.47
HDAC3 O15379 6/20 0.45
NCOR2 Q9Y618 4/20 0.45
HDAC8 Q9BY41 3/20 0.45
KDM4E B2RXH2 2/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7107361 0.86 HDAC3 (0.46) ALDH1A1TSHRHDAC3NCOR2HDAC8
SCHEMBL7108391 0.81 KDM4E (0.41) ALDH1A1TSHRHDAC3NCOR2KDM4E
SCHEMBL7109805 0.80 TSHR (0.59) ALDH1A1TSHRHDAC3NCOR2HDAC8
SCHEMBL7105915 0.73 GAA (0.43) ALDH1A1TSHRKDM4EHTTMEN1
SCHEMBL21665202 0.72 HTT (0.60) ALDH1A1HDAC3NCOR2HDAC8KDM4E
SCHEMBL17451394 0.71 HDAC1 (0.78) HDAC3NCOR2HDAC8HDAC1HDAC2
SCHEMBL7107677 0.71 TSHR (0.57) ALDH1A1TSHRKDM4EHTTMEN1
SCHEMBL4349404 0.71 ALDH1A1 (0.59) ALDH1A1TSHRLMNAHPGD
SCHEMBL6800486 0.70 ALDH1A1 (0.57) ALDH1A1HDAC3NCOR2HDAC8KDM4E
SCHEMBL27533039 0.70 ALDH1A1 (0.76) ALDH1A1TSHRMEN1KMT2ALMNA

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
EP-1348700-A2 Composition and method for dyeing dye-susceptible material Wella Aktiengesellschaft (DE) 2003-10-01 EP disclosed