SCHEMBL13626309

SCHEMBL13626309

CC(=O)NC1(c2ccccc2F)CCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 10/20 0.54
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
SCN9A Q15858 1/20 0.42
POLB P06746 1/20 0.40
NR1D1 P20393 1/20 0.39
NR1D2 Q14995 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL12666567 0.83 HDAC4 (0.50) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL13626300 0.76 POLB (0.61) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL11692509 0.75 POLB (0.60) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL4692536 0.74 HDAC4 (0.42) HDAC4POLBALDH1A1CYP2C19
SCHEMBL24015917 0.73 POLB (0.37) HDAC3HDAC1HDAC2HDAC6POLB
SCHEMBL20738594 0.73 POLB (0.61) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL4942997 0.72 HDAC4 (0.64) HDAC4ALDH1A1GAA
SCHEMBL23647373 0.72 HDAC4 (0.44) HDAC4HDAC3HDAC1HDAC2HDAC6
SCHEMBL4686984 0.72 HDAC4 (0.40) HDAC4POLBALDH1A1CYP2C19
SCHEMBL6233265 0.71 POLB (0.52) HDAC1POLBALDH1A1

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-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed