SCHEMBL3712925

SCHEMBL3712925

COC(=O)c1cc(C#Cc2ccc(OCc3ccccc3)cc2)ccn1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.58
PTPN1 P18031 1/20 0.53
PTPN6 P29350 1/20 0.53
PTPN11 Q06124 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
FFAR1 O14842 5/20 0.46
MAOB P27338 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 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
SCHEMBL3710270 0.86 ACACB (0.59) ACACBFFAR1ALDH1A1LMNAHPGD
SCHEMBL3714474 0.86 SMPD1 (0.57) ACACBPTPN1PTPN6PTPN11NPC1
SCHEMBL3713623 0.84 MCL1 (0.57) ACACBMEN1KMT2ANPC1RAB9A
SCHEMBL3711389 0.84 ACACB (0.58) ACACBFFAR1ALDH1A1LMNA
SCHEMBL20510001 0.83 LMNA (0.52) PTPN1MEN1KMT2ANPC1RAB9A
SCHEMBL3713313 0.83 ACACB (0.60) ACACBNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL7928394 0.80 MAOB (0.59) ACACBPTPN1PTPN6PTPN11NPC1
SCHEMBL15030383 0.79 ACACB (0.61) ACACBNPC1RAB9ASMN1; SMN2FFAR1
SCHEMBL3711888 0.79 ACACB (0.60) ACACBFFAR1ALDH1A1
SCHEMBL3713066 0.79 ACACB (0.65) ACACBFFAR1

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