SCHEMBL4006499

SCHEMBL4006499

O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2ccc([N+](=O)[O-])cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.53
KMT2A Q03164 9/20 0.53
LMNA P02545 8/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 2/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HPGD P15428 1/20 0.51
ABL1 P00519 2/20 0.50
MAPT P10636 9/20 0.49
GPER1 Q99527 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 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
SCHEMBL4010897 0.89 MEN1 (0.58) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL13768431 0.85 KMT2A (0.54) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4010803 0.85 MEN1 (0.54) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4015946 0.85 MEN1 (0.55) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4015480 0.83 ABL1 (0.60) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4010576 0.83 MEN1 (0.58) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4009353 0.83 KMT2A (0.54) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4006756 0.83 LMNA (0.54) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4009545 0.82 MEN1 (0.53) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL4015740 0.81 MEN1 (0.52) MEN1KMT2ALMNARAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed
WO-2009085256-A1 ANTI-HIV COMPOUNDS PANACOS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed