SCHEMBL6509362

SCHEMBL6509362

NC(=O)Nc1sc(NC(=O)c2sc3ccccc3c2Cl)cc1C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPT P10636 8/20 0.51
SMN1; SMN2 Q16637 8/20 0.51
NPC1 O15118 8/20 0.51
RAB9A P51151 8/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.51
TP53 P04637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
F10 P00742 6/20 0.49
PRSS12 P56730 1/20 0.48

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
SCHEMBL16210507 0.78 F10 (0.70) OGG1HDAC1HDAC8HDAC6MAPT
SCHEMBL6506008 0.78 IKBKB (0.56) HDAC6NPC1RAB9AMEN1HPGD
SCHEMBL6507659 0.76 IKBKB (0.53) HDAC1HDAC8HDAC6MAPTSMN1; SMN2
SCHEMBL6510323 0.75 HDAC1 (0.52) HDAC1HDAC8HDAC6RAB9AMEN1
SCHEMBL6530279 0.74 IKBKB (0.48) HDAC6MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6504891 0.74 IKBKB (0.57) HDAC6SMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL6506340 0.74 FLT3 (0.51) HDAC6MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5224540 0.74 PRSS12 (0.60) OGG1HDAC1HDAC8HDAC6MAPT
SCHEMBL7675240 0.72 MCL1 (0.71) OGG1HDAC1HDAC8HDAC6MAPT
SCHEMBL6506347 0.72 IKBKB (0.61) HDAC6MAPTNPC1RAB9AMEN1

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-2005105777-A1 SUBSTITUTED THIOPHENE AMIDE COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA & UPJOHN COMPANY LLC (US) 2005-11-10 WO disclosed