SCHEMBL7360451

SCHEMBL7360451

COC(=O)c1ccc(NC(c2ccncc2)C2CCNCC2)c(C(=O)Nc2ccc(Cl)cn2)c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.47
▸ F10 P00742 14/20 0.45
▸ KCNH2 Q12809 4/20 0.44
▸ F2 P00734 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KLKB1 P03952 1/20 0.41

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
SCHEMBL6413590 0.87 AKT1 (0.45) AKT1F10
SCHEMBL7356229 0.86 F10 (0.48) F10KCNH2F2MEN1RECQL
SCHEMBL6415440 0.86 F10 (0.49) AKT1F10MEN1KMT2A
Hydrochloric Acid SCHEMBL6712997 0.84 F10 (0.48) AKT1F10
SCHEMBL6107051 0.81 F10 (0.47) F10KCNH2MEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL7455665 0.81 AKT1 (0.47) AKT1F10
SCHEMBL7357775 0.80 F10 (0.45) F10KCNH2MEN1RECQLKMT2A
SCHEMBL7366704 0.80 ALDH1A1 (0.48) F10MEN1KMT2A
SCHEMBL7447691 0.80 AKT1 (0.46) AKT1F10
SCHEMBL6107299 0.79 F10 (0.51) F10KCNH2F2KLKB1

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-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — WO disclosed
Send feedback