SCHEMBL14036557

SCHEMBL14036557

COc1cc(NC(=O)NCc2cc(C)ccc2C)ccc1C1C=NN(C)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
QPCT Q16769 3/20 0.37
NAMPT P43490 2/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALPL P05186 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37

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
SCHEMBL14036546 0.90 NPC1 (0.52) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14036562 0.86 KMT2A (0.39) NPC1RAB9AKMT2AMEN1MAPK1
SCHEMBL14036567 0.85 TACR1 (0.35) KMT2AMEN1LMNAMAPTSMN1; SMN2
SCHEMBL14036789 0.83 PTPN1 (0.41) KMT2AMEN1MAPK1LMNAMAPT
SCHEMBL14036571 0.83 TP53 (0.41) MAPTPOLB
SCHEMBL23585337 0.76 ACHE (0.41) KMT2AMAPK1LMNAPOLB
SCHEMBL14036558 0.76 KMT2A (0.37) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL14036556 0.71 UBE2M (0.40) MAPTPOLB
SCHEMBL14036544 0.70 TP53 (0.46) LMNAMAPT
SCHEMBL14036542 0.66 UBE2M (0.36) RAB9ALMNAMAPTHTT

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-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed