SCHEMBL14036562

SCHEMBL14036562

COc1cc(C)c(CNC(=O)Nc2ccc(C3C=NN(C)C3)c(OC)c2)cc1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
PTPN1 P18031 1/20 0.36
QPCT Q16769 6/20 0.35
MAPT P10636 4/20 0.35
NAMPT P43490 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.35
HTT P42858 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14036789 0.95 PTPN1 (0.41) KMT2AL3MBTL1PTPN1QPCTMAPT
SCHEMBL14036558 0.90 KMT2A (0.37) KMT2APTPN1MAPTNAMPTMEN1
SCHEMBL14036557 0.86 NPC1 (0.47) KMT2AL3MBTL1QPCTMAPTNAMPT
SCHEMBL14036555 0.85 TACR1 (0.33) LMNAMAPK1RAB9ASMN1; SMN2
SCHEMBL14036556 0.83 UBE2M (0.40) MAPT
SCHEMBL14036542 0.79 UBE2M (0.36) MAPTLMNAHTTRAB9A
SCHEMBL14036546 0.76 NPC1 (0.52) KMT2AMAPTNAMPTMEN1HTT
SCHEMBL14036567 0.72 TACR1 (0.35) KMT2AMAPTLMNAMEN1HPGD
SCHEMBL14036571 0.70 TP53 (0.41) MAPTHPGD
SCHEMBL14036548 0.70 UBE2M (0.43) MAPTLMNASMN1; 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 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