SCHEMBL28601973

SCHEMBL28601973

O=C(NCCCl)c1csc(-c2cccnc2)n1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.69
IRAK4 Q9NWZ3 9/20 0.67
TLR7 Q9NYK1 1/20 0.65
HDAC2 Q92769 1/20 0.64
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.59
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL28598419 0.86 HPGD (0.63) HDAC6IRAK4TLR7RAB9AMAPK1
SCHEMBL7703958 0.85 IRAK4 (0.66) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL28348308 0.85 HDAC6 (0.65) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL28344825 0.84 IRAK4 (0.68) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL28970478 0.83 HDAC6 (0.78) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL14426771 0.82 IRAK4 (0.69) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL3477450 0.82 HDAC6 (0.67) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL17175809 0.82 IRAK4 (0.69) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL2113234 0.82 HDAC6 (0.67) HDAC6IRAK4TLR7HDAC2NPC1
SCHEMBL24755152 0.82 HDAC6 (1.00) HDAC6IRAK4TLR7HDAC2NPC1

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
CN-110407824-B Aryl formamide compound and preparation method, pharmaceutical composition and application thereof 安徽医科大学 2021-07-02 CN disclosed