SCHEMBL14036558

SCHEMBL14036558

COc1cc(C)c(CNC(=O)Nc2ccc(C3C=NN(C)C3)cc2)cc1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
HTT P42858 2/20 0.37
MAPT P10636 2/20 0.37
NAMPT P43490 4/20 0.36
ROCK2 O75116 4/20 0.36
RAB9A P51151 4/20 0.36
ALPL P05186 1/20 0.35
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 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
SCHEMBL14036562 0.90 KMT2A (0.39) KMT2AMEN1HTTMAPTNAMPT
SCHEMBL14036789 0.85 PTPN1 (0.41) KMT2AMEN1HTTMAPTPTPN1
SCHEMBL14036557 0.76 NPC1 (0.47) KMT2AMEN1HTTMAPTNAMPT
SCHEMBL14036555 0.75 TACR1 (0.33) RAB9ASMN1; SMN2
SCHEMBL14036542 0.73 UBE2M (0.36) HTTMAPTRAB9A
SCHEMBL14036556 0.73 UBE2M (0.40) MAPTROCK2
SCHEMBL14036546 0.70 NPC1 (0.52) KMT2AMEN1HTTMAPTNAMPT
SCHEMBL14036690 0.67 GAA (0.43) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL14036621 0.63 MEN1 (0.49) KMT2AMEN1HTTMAPTSMN1; SMN2
SCHEMBL5013641 0.63 POLB (0.43) KMT2AMEN1MAPTSMN1; 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