SCHEMBL8942432

SCHEMBL8942432

CCCCOc1ccc(C(=O)N(O)CCNC(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL8942633 0.96 TP53 (0.52) RAB9ANPC1GAATP53TSHR
SCHEMBL8942653 0.84 CA1 (0.47) RAB9ANPC1KMT2A
SCHEMBL8782667 0.82 NPC1 (0.58) RAB9AMEN1NPC1KMT2AMMP1
SCHEMBL8942404 0.80 SAE1 (0.51) MEN1KMT2A
SCHEMBL8783244 0.79 NPC1 (0.55) RAB9AMEN1NPC1KMT2AMMP1
SCHEMBL8942484 0.79 PARP10 (0.50) RAB9AMEN1NPC1KMT2AMMP1
SCHEMBL8942382 0.76 CYP2C9 (0.47) MEN1NPC1KMT2ATSHR
SCHEMBL28576237 0.74 NPC1 (0.62) RAB9AMEN1NPC1KMT2AMMP1
SCHEMBL8942623 0.74 HPGD (0.46) RAB9ANPC1GAA
SCHEMBL8942624 0.73 TLR4 (0.47) RAB9AMEN1NPC1KMT2A

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-5514702-A Arylamidoalkyl-N-hydroxyurea compounds having lipoxygenase inhibitory activity ABBOTT LABORATORIES (US) 1996-05-07 US disclosed