SCHEMBL4010428

SCHEMBL4010428

O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2cccc(Cl)c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.56
MEN1 O00255 9/20 0.54
KMT2A Q03164 9/20 0.54
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
LMNA P02545 6/20 0.54
KDM4E B2RXH2 6/20 0.54
NFKB1 P19838 4/20 0.54
NFKB2 Q00653 4/20 0.54
RELA Q04206 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 4/20 0.54
ALDH1A1 P00352 4/20 0.54
GPER1 Q99527 1/20 0.49
MAPT P10636 5/20 0.47
GAA P10253 1/20 0.47
TP53 P04637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 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
SCHEMBL4006976 0.90 ABL1 (0.58) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4010872 0.85 ABL1 (0.56) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4015480 0.84 ABL1 (0.60) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4012125 0.81 KMT2A (0.54) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL13768431 0.81 KMT2A (0.54) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4010897 0.80 MEN1 (0.58) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4010576 0.80 MEN1 (0.58) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4012042 0.79 ABL1 (0.56) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL13768811 0.78 ABL1 (0.58) ABL1MEN1KMT2ANPC1RAB9A
SCHEMBL4009468 0.78 SCD (0.53) ABL1MEN1KMT2ANPC1RAB9A

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