SCHEMBL8450696

SCHEMBL8450696

O=C(CCCCc1c[nH]cn1)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.40
HDAC3 O15379 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC2 Q92769 4/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALOX5 P09917 1/20 0.37
DUT P33316 1/20 0.34
GLS O94925 1/20 0.34
MEN1 O00255 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7197744 0.78 PPARA (0.38) DUT
SCHEMBL8344235 0.75 HDAC1 (0.46) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL291231 0.75 TBXAS1 (0.46)
SCHEMBL25754954 0.74 TBXAS1 (0.40) HDAC1HDAC3HDAC6HDAC8HDAC2
SCHEMBL7974132 0.73 TRPV1 (0.55) HDAC1HDAC2ALOX5MEN1KMT2A
SCHEMBL2896033 0.73 TBXAS1 (0.49)
SCHEMBL26589771 0.73 TBXAS1 (0.49)
SCHEMBL4385043 0.73 GLS (0.33) GLSMEN1KMT2A
SCHEMBL2802749 0.73 KIF11 (0.46) DUT
SCHEMBL4388838 0.72 HRH3 (0.38)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946517-A1 N-(IMIDAZOLYLBUTYL) BENZENESULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SYNTHELABO (FR) 1999-10-06 EP disclosed
WO-1998022443-A1 N-(IMIDAZOLYLBUTYL) BENZENESULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SYNTHELABO (FR) 1998-05-28 WO disclosed