SCHEMBL4009959

SCHEMBL4009959

O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1coc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.52
ABL1 P00519 7/20 0.52
LMNA P02545 6/20 0.51
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
MAPT P10636 4/20 0.51
SCD O00767 6/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 4/20 0.49
NFKB1 P19838 4/20 0.49
NFKB2 Q00653 4/20 0.49
RELA Q04206 4/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 2/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 1/20 0.49
GAA P10253 1/20 0.48
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4006445 0.89 NPC1 (0.50) MAOBABL1LMNAMEN1KMT2A
SCHEMBL4015480 0.89 ABL1 (0.60) MAOBABL1LMNAMEN1KMT2A
SCHEMBL4006384 0.89 LMNA (0.45) MAOBABL1LMNAMEN1KMT2A
SCHEMBL13768201 0.88 RAB9A (0.52) MAOBABL1LMNAMEN1KMT2A
SCHEMBL4012432 0.87 LMNA (0.52) MAOBABL1LMNAMEN1KMT2A
SCHEMBL4163968 0.87 NPC1 (0.51) MAOBABL1LMNAMEN1KMT2A
SCHEMBL13768428 0.86 NPC1 (0.50) MAOBABL1LMNAMEN1KMT2A
SCHEMBL4011924 0.86 LMNA (0.53) ABL1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL4013216 0.85 LMNA (0.53) MAOBABL1LMNAMEN1KMT2A
SCHEMBL13768412 0.85 RAB9A (0.49) ABL1LMNAMEN1KMT2ASMN1; 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