SCHEMBL14036686

SCHEMBL14036686

CCOc1cc(C)c(CN(C)C(=O)Nc2ccc(-n3cnc(C)c3)cc2)cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.38
ALDH1A1 P00352 2/20 0.38
PTK2 Q05397 1/20 0.38
MAPK13 O15264 1/20 0.38
RAB9A P51151 1/20 0.35
RET P07949 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LDLR P01130 2/20 0.35
PCSK9 Q8NBP7 2/20 0.35
KIT P10721 1/20 0.35
PDGFRB P09619 1/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 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
SCHEMBL14036693 0.88 PSEN1 (0.39) ALDH1A1RAB9ARET
SCHEMBL14036775 0.73 PSEN1 (0.50)
SCHEMBL14036793 0.73 UBE2M (0.35) ALDH1A1MAPT
SCHEMBL14036575 0.71 DDX3X (0.40) ALDH1A1RAB9AMAPTNPSR1DDX3X
SCHEMBL14036550 0.69 USP30 (0.44) MAPT
SCHEMBL14036808 0.69 PSEN1 (0.42) MAPT
SCHEMBL757334 0.68 PSEN1 (0.45) TSHRNPSR1
SCHEMBL759528 0.68 PSEN1 (0.60) ALDH1A1CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL14036790 0.68 PSEN1 (0.39)
SCHEMBL758919 0.67 PSEN1 (0.56)

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