SCHEMBL5363758

SCHEMBL5363758

O=C(O)NCCCCC(Nc1ccc(F)cc1)c1nc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
HTT P42858 2/20 0.47
POLB P06746 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
PTPN1 P18031 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5281030 0.86 FPR1 (0.58) ALDH1A1HTTPOLBHDAC3HDAC4
SCHEMBL5281920 0.78 TAAR1 (0.50) ALDH1A1HTTHDAC3HDAC4HDAC1
SCHEMBL5279510 0.76 HDAC3 (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8117247 0.74 HDAC6 (0.63) ALDH1A1HTTPOLBHDAC3HDAC4
SCHEMBL5293063 0.74 ALDH1A1 (0.59) ALDH1A1HTTPOLBHDAC3HDAC4
SCHEMBL5293074 0.74 ALDH1A1 (0.59) ALDH1A1HTTPOLBHDAC3HDAC4
SCHEMBL3959226 0.73 ALDH1A1 (0.56) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20495339 0.73 PADI2 (0.42) ALDH1A1HTTPOLBHDAC3HDAC4
SCHEMBL6038376 0.73 FPR1 (0.52) ALDH1A1HTTPOLBHDAC3HDAC4
SCHEMBL5325040 0.73 FPR1 (0.52) ALDH1A1HTTPOLBHDAC3HDAC4

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-2007143822-A1 SULFAMIDE AND SULFAMATE DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS METHYLGENE INC. (CA) 2007-12-21 WO disclosed