SCHEMBL4015944

SCHEMBL4015944

Cc1ccccc1NC(=O)c1ccc(Cc2cnc(NC(=O)c3coc4ccccc34)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.53
LMNA P02545 7/20 0.49
RAB9A P51151 7/20 0.49
NPC1 O15118 6/20 0.49
TP53 P04637 3/20 0.49
KDM4E B2RXH2 7/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 6/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
NFKB1 P19838 4/20 0.48
NFKB2 Q00653 4/20 0.48
RELA Q04206 4/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 4/20 0.48
HDAC1 Q13547 1/20 0.48
ABL1 P00519 2/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL4012432 0.89 LMNA (0.52) MAOBLMNARAB9ANPC1TP53
SCHEMBL4013216 0.87 LMNA (0.53) MAOBLMNARAB9ANPC1TP53
SCHEMBL4009261 0.86 LMNA (0.49) MAOBLMNARAB9ANPC1TP53
SCHEMBL4011924 0.86 LMNA (0.53) LMNARAB9ANPC1TP53KDM4E
SCHEMBL4016246 0.85 MEN1 (0.49) LMNARAB9ANPC1TP53KDM4E
SCHEMBL13768419 0.85 L3MBTL1 (0.53) MAOBLMNARAB9ANPC1TP53
SCHEMBL13768412 0.85 RAB9A (0.49) LMNARAB9ANPC1TP53KDM4E
SCHEMBL4016249 0.85 MAOB (0.49) MAOBLMNARAB9ANPC1TP53
SCHEMBL13768812 0.84 LMNA (0.52) LMNARAB9ANPC1TP53KDM4E
SCHEMBL4009214 0.84 LMNA (0.49) MAOBLMNARAB9ANPC1TP53

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