SCHEMBL4015635

SCHEMBL4015635

COc1cc(OC)c2c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)coc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 2/20 0.52
RAB9A P51151 2/20 0.52
NFKB2 Q00653 2/20 0.52
KMT2A Q03164 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
ABL1 P00519 2/20 0.49
SCD O00767 11/20 0.48
GPER1 Q99527 1/20 0.48
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL4015936 0.86 LMNA (0.54) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4009353 0.84 KMT2A (0.54) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4009561 0.79 NPC1 (0.55) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4006976 0.79 ABL1 (0.58) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4010897 0.78 MEN1 (0.58) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4010576 0.78 MEN1 (0.58) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4010428 0.77 ABL1 (0.56) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4015480 0.77 ABL1 (0.60) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL13768431 0.75 KMT2A (0.54) NPC1KDM4EMEN1LMNANFKB1
SCHEMBL4012125 0.75 KMT2A (0.54) NPC1KDM4EMEN1LMNANFKB1

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