SCHEMBL3716108

SCHEMBL3716108

O=C(NO)c1cc(NC(=O)c2cnccn2)nc(-c2ccc(C#Cc3cccnc3)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ CDC25A P30304 1/20 0.42
▸ CDC25B P30305 1/20 0.42
▸ CDC25C P30307 1/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ TSHR P16473 1/20 0.38

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
SCHEMBL3711302 0.89 RAB9A (0.49) LMNAKMT2AMEN1HTTCDC25A
SCHEMBL3714333 0.88 HDAC1 (0.49) LMNAKMT2AMEN1RAB9ANPC1
SCHEMBL3715066 0.88 HIF1A (0.37) LMNAGRM5HIF1AEPAS1ALDH1A1
SCHEMBL13188322 0.87 LMNA (0.53) LMNAKMT2AMEN1HTTCDC25A
SCHEMBL3714241 0.87 HDAC6 (0.41) LMNAKMT2AMEN1GRM5HIF1A
SCHEMBL3790839 0.86 HIF1A (0.36) LMNAGRM5HIF1AEPAS1ALDH1A1
SCHEMBL3709438 0.86 HIF1A (0.42) LMNAKMT2ARAB9ANPC1HIF1A
SCHEMBL13188263 0.84 HDAC6 (0.42) LMNAGRM5HIF1AEPAS1ALDH1A1
SCHEMBL3711250 0.84 TSHR (0.42) LMNAKMT2AMEN1HTTRAB9A
SCHEMBL3709347 0.82 PTGES (0.42) LMNASMN1; SMN2GRM5HIF1AEPAS1

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-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 — — WO disclosed
Send feedback