SCHEMBL8450701

SCHEMBL8450701

NC(=O)CCCCc1c[nH]c(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.38
NR4A2 P43354 2/20 0.36
LTB4R Q15722 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
LMNA P02545 1/20 0.33
AURKA O14965 1/20 0.33
FAAH O00519 3/20 0.33
CES1 P23141 3/20 0.33
TBXAS1 P24557 2/20 0.33
TLR8 Q9NR97 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32

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
SCHEMBL8548025 0.85 HRH1 (0.41) MPOMAPTTLR8
SCHEMBL8584247 0.83 KCNH3 (0.35) AURKA
SCHEMBL7846190 0.83 KEAP1 (0.41) NR4A2RXRARXRBLMNAHDAC3
SCHEMBL8547280 0.83 KIF11 (0.39) MPO
SCHEMBL4968480 0.83 CTSK (0.36) MAPTAURKA
SCHEMBL8543341 0.82
SCHEMBL8490869 0.81
SCHEMBL6571079 0.80
SCHEMBL6457920 0.80 HRH1 (0.37) MPO
SCHEMBL6958918 0.80 TDP1 (0.34) AURKA

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