SCHEMBL23095652

SCHEMBL23095652

CC(=O)Oc1c(C)cc(C)cc1C(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.64
NLRP3 Q96P20 1/20 0.64
HDAC8 Q9BY41 3/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TOP1 P11387 1/20 0.48
F10 P00742 3/20 0.47
P2RX1 P51575 2/20 0.47
MAOB P27338 2/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL22632352 0.86 FADS1 (0.50) POLBNLRP3HDAC8MAPTMEN1
Clioxanide SCHEMBL29358452 0.78 POLB (1.00) POLBNLRP3HDAC8HDAC1HDAC6
Clioxanide SCHEMBL636665 0.78 POLB (1.00) POLBNLRP3HDAC8HDAC1HDAC6
SCHEMBL18160306 0.73 HDAC8 (0.68) POLBHDAC8HDAC1HDAC6MAPT
SCHEMBL2699617 0.72 POLB (0.55) POLBNLRP3MAPTMEN1RAB9A
SCHEMBL24460276 0.72 P2RX1 (0.77) POLBMEN1NPC1LMNAHTT
SCHEMBL14459536 0.71 F10 (0.68) HDAC8HDAC1HDAC6MAPTMEN1
SCHEMBL14223829 0.71 POLB (0.67) POLBNLRP3HDAC8MEN1NPC1
SCHEMBL20413309 0.71 POLB (0.79) POLBNLRP3MAPTMEN1NPC1
SCHEMBL3156904 0.71 KDM4E (0.52) POLBMAPTLMNAHTTTOP1

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-3302492-B1 HALOGENATED SALICYLANILIDES FOR TREATING CLOSTRIDIUM INFECTIONS UNION THERAPEUTICS AS (DK) 2021-03-17 EP disclosed