SCHEMBL7089778

SCHEMBL7089778

NCCCOc1c(Br)cc(CC(=NO)C(=O)NCCCn2ccnc2)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7089774 1.00 SMN1; SMN2 (0.45) SMN1; SMN2LMNAHTTALDH1A1MEN1
SCHEMBL7089449 0.82 HDAC3 (0.48) —
SCHEMBL7089006 0.79 HDAC3 (0.45) —
SCHEMBL7092254 0.78 HDAC3 (0.44) —
SCHEMBL7088855 0.78 CA12 (0.40) —
SCHEMBL6658567 0.77 CA1 (0.45) SMN1; SMN2MEN1KMT2AGAA
SCHEMBL7092305 0.76 FOXO1 (0.46) ALDH1A1
SCHEMBL7088914 0.76 HSD17B10 (0.43) LMNA
SCHEMBL6659321 0.76 HDAC3 (0.45) —
SCHEMBL6659312 0.76 HDAC3 (0.45) —

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-2003087127-A2 ANTIMICROBIAL COMPOUNDS AGAINST STAPHYLOCOCCI, MYCOBACTERIA, AND OTHER INFECTIOUS AGENTS EXEGENICS INC. (US) 2003-10-23 — — WO claimed
Send feedback