SCHEMBL6532742

SCHEMBL6532742

NC(=O)Nc1cnc(Cl)cc1C(=O)Nc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.44
KMT2A Q03164 10/20 0.44
MEN1 O00255 9/20 0.44
GAA P10253 9/20 0.44
MAPT P10636 8/20 0.44
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
ALOX15 P16050 3/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
ALOX12 P18054 2/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 4/20 0.43
GRIK1 P39086 1/20 0.42
HTT P42858 3/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL569283 0.72
Hydrochloric Acid SCHEMBL8715905 0.70 GAA (0.53) KMT2AMEN1GAAMAPTALDH1A1
Ammonia Solution, Strong SCHEMBL1532118 0.70 GAA (0.53) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL1876691 0.68 NPC1 (0.63) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL22720444 0.68 GAA (0.57) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL6533210 0.66 MAPK1 (0.49) KMT2AMEN1GAAMAPTALOX15
SCHEMBL28880139 0.65 MAPK1 (0.61) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL5190975 0.65 NPC1 (0.48) KMT2AMEN1GAAMAPTALDH1A1
SCHEMBL17047608 0.65 RAB9A (0.64) GAAALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL2692922 0.65 CISD1 (0.54) ALDH1A1KDM4EALOX15HSD17B10HPGD

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