SCHEMBL6509035

SCHEMBL6509035

CC(C)(C)C1CCC(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
GFER P55789 1/20 0.48
RAB9A P51151 1/20 0.47
GLA P06280 1/20 0.46
NPC1 O15118 1/20 0.45
IKBKB O14920 5/20 0.44
MAPK10 P53779 2/20 0.43
JAK2 O60674 2/20 0.41
MEN1 O00255 1/20 0.41
EIF2AK2 P19525 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CHEK1 O14757 3/20 0.40
JAK3 P52333 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 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
SCHEMBL6530224 0.85 MAPK1 (0.49) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6507196 0.85 MAPK1 (0.49) MAPK1GFERIKBKBMAPK10JAK2
Hydrochloric Acid SCHEMBL6506232 0.84 MAPK1 (0.48) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6509261 0.82 MAPK1 (0.49) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6507350 0.82 MAPK1 (0.43) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6510436 0.82 MAPK1 (0.43) MAPK1GFERIKBKBMAPK10JAK2
SCHEMBL6507207 0.80 MAPK1 (0.47) MAPK1GFERRAB9ANPC1IKBKB
SCHEMBL6507091 0.78 CHEK1 (0.47) MAPK1GFERRAB9ANPC1IKBKB
SCHEMBL6506520 0.77 MAPT (0.44) MAPK1GFERRAB9ANPC1IKBKB
SCHEMBL6530184 0.75 CHEK1 (0.48) MAPK1GFERIKBKBCHEK1

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