SCHEMBL5795344

SCHEMBL5795344

NCCOc1cc(N2CCC(N)CC2)cc2sc(C(=O)O)c(N)c12

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 5/20 0.36
CHUK O15111 1/20 0.36
EPHA3 P29320 1/20 0.36
LGMN Q99538 1/20 0.31
CDK8 P49336 1/20 0.30

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
SCHEMBL5106374 0.92 IKBKB (0.44) IKBKBCHUKEPHA3CDK8
SCHEMBL14277278 0.91 IKBKB (0.38) IKBKBCHUKEPHA3LGMNCDK8
SCHEMBL5116053 0.81 IKBKB (0.44) IKBKBCHUKEPHA3CDK8
SCHEMBL14277270 0.81 IKBKB (0.36) IKBKBCHUKEPHA3LGMNCDK8
SCHEMBL5114616 0.80 IKBKB (0.49) IKBKBCHUKEPHA3CDK8
SCHEMBL14277280 0.80 IKBKB (0.35) IKBKBCHUKEPHA3LGMN
SCHEMBL5114160 0.79 CASP7 (0.42) IKBKBCHUKEPHA3
SCHEMBL5106407 0.79 IKBKB (0.42) IKBKBCHUKEPHA3CDK8
SCHEMBL5117786 0.79 CDK8 (0.42) IKBKBCHUKEPHA3CDK8
SCHEMBL14277275 0.79 LRRK2 (0.38) IKBKBCHUKEPHA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1651629-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-05-03 EP claimed
WO-2005012283-A1 SUBSTITUTED BENZOTHIOPHENE COMPOUNDS AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-10 WO claimed