SCHEMBL6509261

SCHEMBL6509261

CN1CCC(C(=O)Nc2cc(C(N)=O)c(NC(N)=O)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
GFER P55789 1/20 0.49
CHEK1 O14757 5/20 0.47
IKBKB O14920 5/20 0.45
PARP1 P09874 2/20 0.45
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
MKNK1 Q9BUB5 1/20 0.41
MAPK10 P53779 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
JAK3 P52333 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40

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
SCHEMBL6507196 0.84 MAPK1 (0.49) MAPK1GFERCHEK1IKBKBJAK2
SCHEMBL6530224 0.84 MAPK1 (0.49) MAPK1GFERCHEK1IKBKBJAK2
Hydrochloric Acid SCHEMBL6506232 0.82 MAPK1 (0.48) MAPK1GFERCHEK1IKBKBJAK2
SCHEMBL6509035 0.82 MAPK1 (0.48) MAPK1GFERCHEK1IKBKBJAK2
SCHEMBL6510199 0.81 CYP3A4 (0.48) MAPK1GFERCHEK1IKBKBPARP1
SCHEMBL6510188 0.81 CYP3A4 (0.48) MAPK1GFERCHEK1IKBKBPARP1
SCHEMBL6507207 0.79 MAPK1 (0.47) MAPK1GFERCHEK1IKBKBJAK2
SCHEMBL6507091 0.77 CHEK1 (0.47) MAPK1GFERCHEK1IKBKBMEN1
SCHEMBL6530184 0.76 CHEK1 (0.48) MAPK1GFERCHEK1IKBKB
SCHEMBL6510436 0.76 MAPK1 (0.43) MAPK1GFERCHEK1IKBKBPARP1

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