SCHEMBL4012125

SCHEMBL4012125

O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1coc2cc(Cl)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
LMNA P02545 5/20 0.54
KDM4E B2RXH2 3/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 2/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
ALDH1A1 P00352 1/20 0.54
ABL1 P00519 5/20 0.53
GPER1 Q99527 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 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
SCHEMBL13768431 0.92 KMT2A (0.54) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4010576 0.92 MEN1 (0.58) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL13768327 0.90 NPC1 (0.57) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4015480 0.86 ABL1 (0.60) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4010897 0.86 MEN1 (0.58) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4015936 0.86 LMNA (0.54) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4010803 0.83 MEN1 (0.54) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4009468 0.82 SCD (0.53) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4010872 0.81 ABL1 (0.56) KMT2AMEN1LMNAKDM4ENPC1
SCHEMBL4010428 0.81 ABL1 (0.56) KMT2AMEN1LMNAKDM4ENPC1

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