SCHEMBL14036571

SCHEMBL14036571

COc1cc(NC(=O)N(Cc2cc(C)ccc2C)C2CC2)ccc1C1C=NN(C)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 2/20 0.40
UBE2M P61081 11/20 0.39
DCUN1D1 Q96GG9 11/20 0.39
ROCK2 O75116 1/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL14036567 0.89 TACR1 (0.35) TP53MAPTROCK2KDM4EALDH1A1
SCHEMBL14036544 0.88 TP53 (0.46) TP53MAPTUBE2MDCUN1D1
SCHEMBL14036556 0.88 UBE2M (0.40) TP53MAPTPOLBUBE2MDCUN1D1
SCHEMBL14036557 0.83 NPC1 (0.47) MAPTPOLB
SCHEMBL14036548 0.76 UBE2M (0.43) TP53MAPTUBE2MDCUN1D1
SCHEMBL14036574 0.76 TP53 (0.44) TP53MAPTPOLBUBE2MDCUN1D1
SCHEMBL23585337 0.73 ACHE (0.41) POLBKDM4EUSP2ALDH1A1
SCHEMBL14036546 0.72 NPC1 (0.52) TP53MAPTHPGD
SCHEMBL14036542 0.70 UBE2M (0.36) TP53MAPTUBE2MDCUN1D1ALDH1A1
SCHEMBL14036789 0.68 PTPN1 (0.41) MAPT

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