SCHEMBL13972704

SCHEMBL13972704

CC(C)SNCCCCC(=O)Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 7/20 0.42
HDAC3 O15379 6/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC4 P56524 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 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
SCHEMBL10113773 0.81 HDAC6 (0.46) CYP1A2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL9815030 0.79 EP300 (0.60) CYP1A2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL9815026 0.78 ALDH1A1 (0.51) CYP1A2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL10113508 0.76 HDAC6 (0.46) CYP1A2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL9815029 0.75 ALDH1A1 (0.54) CYP1A2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL5907677 0.74 SMN1; SMN2 (0.50) CYP1A2CYP2C19HDAC1HDAC7HDAC8
SCHEMBL9815043 0.73 CYP1A2 (0.57) CYP1A2CYP2C19HDAC1HDAC7HDAC8
SCHEMBL8613334 0.73 HDAC1 (0.51) HDAC1HDAC3HDAC7HDAC8HDAC6
SCHEMBL8579316 0.73 TERT (0.57) CYP1A2CYP2C19HDAC1HDAC3HDAC7
SCHEMBL776746 0.70 LMNA (0.60) HDAC1HDAC3HDAC7HDAC8HDAC6

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 EP disclosed