SCHEMBL28111329

SCHEMBL28111329

O=C(NCc1ccccc1)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 13/20 0.65
SCD O00767 6/20 0.64
TP53 P04637 1/20 0.53
MMP13 P45452 1/20 0.48

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
SCHEMBL28111205 0.88 DCTPP1 (0.63) DCTPP1SCD
SCHEMBL28111207 0.87 SCD (0.65) DCTPP1SCDMMP13
SCHEMBL28111752 0.80 TP53 (0.48) DCTPP1SCDTP53MMP13
SCHEMBL3231445 0.80 MMP13 (0.67) TP53MMP13
SCHEMBL5367323 0.79 DCTPP1 (0.59) DCTPP1SCD
SCHEMBL3231697 0.79 DCTPP1 (0.52) DCTPP1SCD
SCHEMBL3231690 0.79 DCTPP1 (0.52) DCTPP1SCD
SCHEMBL28836616 0.78 SCD (0.52) SCD
SCHEMBL5312647 0.77 SCD (0.80) DCTPP1SCD
SCHEMBL28111734 0.77 NAMPT (0.49) DCTPP1SCD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN claimed
CN-106187910-A Pyridazine class derivant and its production and use 浙江大学 2016-12-07 CN disclosed