SCHEMBL13768209

SCHEMBL13768209

O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1coc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 8/20 0.47
RAB9A P51151 7/20 0.47
MEN1 O00255 7/20 0.47
MAPT P10636 6/20 0.47
NPC1 O15118 6/20 0.47
ABL1 P00519 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
LMNA P02545 7/20 0.47
TP53 P04637 2/20 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
SCHEMBL4009468 0.92 SCD (0.53) SCDSMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL4009956 0.92 SCD (0.47) SCDSMN1; SMN2KMT2ARAB9AMEN1
SCHEMBL13768201 0.86 RAB9A (0.52) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL4163968 0.85 NPC1 (0.51) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL4015480 0.85 ABL1 (0.60) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL4155044 0.85 RAB9A (0.46) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL13768618 0.85 RAB9A (0.45) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL4011924 0.84 LMNA (0.53) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL13768428 0.84 NPC1 (0.50) SMN1; SMN2KMT2ARAB9AMEN1MAPT
SCHEMBL4012039 0.84 NPC1 (0.59) SCDKMT2ARAB9AMEN1MAPT

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