SCHEMBL14439834

SCHEMBL14439834

CC(C)c1nc(COC(N)=O)n(COc2ccccc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TP53 P04637 2/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34
VCP P55072 1/20 0.34
HTT P42858 1/20 0.33
GRM5 P41594 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6967638 0.89 TDP1 (0.39) MEN1KMT2ATP53MAPTRECQL
SCHEMBL6974497 0.86 MEN1 (0.34) MEN1KMT2AMAPTEPHX1HTT
SCHEMBL6974427 0.86 MAPT (0.38) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL14439837 0.85
SCHEMBL6962940 0.85 HSP90B1 (0.31) MEN1KMT2ASMN1; SMN2CYP1A2LMNA
SCHEMBL14001817 0.85 TP53 (0.36) MEN1KMT2ATP53MAPTRECQL
SCHEMBL7081608 0.85 LMNA (0.36) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL6966022 0.85 ADRA1D (0.36) MEN1KMT2ATP53MAPTGRM5
SCHEMBL6962070 0.84 MEN1 (0.30) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL14439861 0.84 TP53 (0.36) MEN1KMT2ATP53MAPTRECQL

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-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed