SCHEMBL27939716

SCHEMBL27939716

COC(=O)[C@H](C)NC(=O)c1cc2c([nH]c3ccccc32)c(C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.67
LMNA P02545 2/20 0.67
KDM4E B2RXH2 2/20 0.67
ALDH1A1 P00352 1/20 0.67
TP53 P04637 1/20 0.67
HPGD P15428 1/20 0.67
MAPK1 P28482 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 7/20 0.66
KMT2A Q03164 7/20 0.66
APOBEC3G Q9HC16 1/20 0.66
POLB P06746 1/20 0.60
HDAC3 O15379 7/20 0.59
HDAC4 P56524 7/20 0.59
HDAC1 Q13547 7/20 0.59
HDAC7 Q8WUI4 7/20 0.59
HDAC2 Q92769 7/20 0.59
HDAC10 Q969S8 7/20 0.59
HDAC11 Q96DB2 7/20 0.59
HDAC8 Q9BY41 7/20 0.59

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
SCHEMBL27893270 0.81 MAPT (1.00) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL29817530 0.81 MAPT (1.00) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL27921180 0.80 KMT2A (0.56) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL28061972 0.80 HDAC1 (0.71) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL27921178 0.79 MAPT (0.56) MAPTLMNAKDM4EALDH1A1TP53
Harman-3-Carboxylic Acid SCHEMBL3967948 0.77 MAPT (0.73) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL2216825 0.76 MAPT (0.77) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL27975334 0.76 MAPT (0.71) MAPTLMNAKDM4EALDH1A1TP53
SCHEMBL15427099 0.75 KMT2A (0.77) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL29817732 0.71 MAPT (0.76) MAPTLMNAKDM4EALDH1A1TP53

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
CN-101429198-B Banisterine derivant and uses thereof XINJIANG HUASHIDAN MEDICAMENTS RES CO LTD 2013-10-23 CN disclosed