SCHEMBL3714474

SCHEMBL3714474

O=C(NO)c1cc(C#Cc2ccc(OCc3ccccc3)cc2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.57
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
PTPN11 Q06124 1/20 0.53
ACACB O00763 2/20 0.49
HDAC1 Q13547 1/20 0.48
FFAR1 O14842 4/20 0.46
RAB9A P51151 2/20 0.45
GSK3B P49841 1/20 0.45
BACE1 P56817 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR4A1 P22736 1/20 0.45
NR4A2 P43354 1/20 0.45
NR4A3 Q92570 1/20 0.45
P4HTM Q9NXG6 1/20 0.44

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
SCHEMBL3712925 0.86 ACACB (0.58) PTPN1PTPN6PTPN11ACACBFFAR1
SCHEMBL13188123 0.85 KDM4D (0.43) PTPN11ACACBHDAC1FFAR1
SCHEMBL3715274 0.84 SMPD1 (0.67) SMPD1HDAC1
SCHEMBL3711290 0.82 FFAR1 (0.47) SMPD1ACACBHDAC1FFAR1
SCHEMBL3711749 0.81 ACACB (0.46) ACACBHDAC1FFAR1RAB9ANPC1
SCHEMBL3713974 0.77 ACACB (0.50) ACACBFFAR1SMN1; SMN2
SCHEMBL14786201 0.74 MAOB (0.71) PTPN1PTPN6PTPN11FFAR1RAB9A
SCHEMBL3713068 0.72 HDAC1 (0.82) SMPD1HDAC1RAB9ANPC1SMN1; SMN2
SCHEMBL4364752 0.72 BRAF (0.62)
SCHEMBL18681644 0.72 CSF1R (0.54) SMPD1NR4A2P4HTM

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