SCHEMBL14036555

SCHEMBL14036555

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.33
RAB9A P51151 1/20 0.33
KCNK3 O14649 1/20 0.32
KCNK9 Q9NPC2 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
KEAP1 Q14145 1/20 0.32
NFE2L2 Q16236 1/20 0.32
UBE2M P61081 5/20 0.32
DCUN1D1 Q96GG9 5/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 3/20 0.31
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SHMT2 P34897 1/20 0.31

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
SCHEMBL14036542 0.93 UBE2M (0.36) TACR1RAB9AKCNK3KCNK9UBE2M
SCHEMBL14036556 0.90 UBE2M (0.40) UBE2MDCUN1D1TP53
SCHEMBL14036567 0.88 TACR1 (0.35) TACR1TP53LMNAKDM4EALDH1A1
SCHEMBL14036562 0.85 KMT2A (0.39) RAB9ALMNAMAPK1SMN1; SMN2
SCHEMBL14036789 0.81 PTPN1 (0.41) LMNAMAPK1
SCHEMBL14036571 0.77 TP53 (0.41) UBE2MDCUN1D1TP53KDM4EALDH1A1
SCHEMBL14036548 0.76 UBE2M (0.43) UBE2MDCUN1D1TP53LMNASMN1; SMN2
SCHEMBL14036545 0.75 LMNA (0.36) UBE2MDCUN1D1TP53LMNAKDM4E
SCHEMBL14036558 0.75 KMT2A (0.37) RAB9ASMN1; SMN2
SCHEMBL14036575 0.74 DDX3X (0.40) TACR1RAB9AAAK1LMNAMAPK1

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