SCHEMBL7972272

SCHEMBL7972272

CC(C)(C)OC(=O)NCCCNc1nc2c(N)c(I)ccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.43
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
ADORA2B P29275 1/20 0.40
STING1 Q86WV6 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
SCHEMBL7967420 0.84 BRD4 (0.46) BRD4STK17BSTK17AADORA2AADORA1
SCHEMBL7965370 0.77 BRD4 (0.44) BRD4STK17BSTK17AADORA2AADORA1
SCHEMBL7595112 0.68 NR1H2 (0.41)
SCHEMBL17279271 0.67 KCNH2 (0.44) BRD4STK17BSTK17AADORA2AADORA1
SCHEMBL7481176 0.66 CKS1B (0.45) BRD4
SCHEMBL7481535 0.66 AAK1 (0.41)
SCHEMBL31436060 0.66 STK17B (0.58) BRD4STK17BSTK17AADORA2AADORA1
SCHEMBL3778944 0.66 HRH3 (0.59) BRD4STK17BSTK17AADORA2AADORA1
SCHEMBL22605515 0.64 BRD4 (0.49) BRD4STK17BSTK17AADORA2AADORA1
SCHEMBL15757889 0.64 STK17B (0.56) BRD4STK17BSTK17AADORA2AADORA1

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
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed