SCHEMBL21152040

SCHEMBL21152040

CNOCC(C)(C)Cn1cc(-c2cccc(N)c2)nn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 5/20 0.46
KDR P35968 4/20 0.46
EPHB4 P54760 2/20 0.46
UCHL5 Q9Y5K5 2/20 0.40
PRMT5 O14744 1/20 0.40
GPR55 Q9Y2T6 1/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36

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
SCHEMBL16263152 0.81 TEK (0.54) TEKKDREPHB4UCHL5PRMT5
SCHEMBL16264699 0.75 TEK (0.57) TEKKDREPHB4UCHL5PRMT5
SCHEMBL30722374 0.75 TEK (0.57) TEKKDREPHB4UCHL5PRMT5
SCHEMBL14987759 0.72 TEK (0.55) TEKKDREPHB4UCHL5PRMT5
SCHEMBL28311174 0.72 TEK (0.55) TEKKDREPHB4UCHL5PRMT5
SCHEMBL18625808 0.71 PRMT5 (0.55) TEKKDREPHB4UCHL5PRMT5
SCHEMBL21573104 0.70 GGPS1 (0.33) GGPS1
SCHEMBL16775813 0.70 UCHL5 (0.44) TEKKDREPHB4UCHL5PRMT5
SCHEMBL28055960 0.70 UCHL5 (0.44) TEKKDREPHB4UCHL5PRMT5
SCHEMBL28593627 0.69 CYP19A1 (0.72) TEKKDREPHB4UCHL5NPC1

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-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed