SCHEMBL28111205

SCHEMBL28111205

O=C(NCc1ccc(F)cc1)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 12/20 0.63
MAPT P10636 1/20 0.56
SCD O00767 3/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
PRKAA2 P54646 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
SCHEMBL28111329 0.88 DCTPP1 (0.65) DCTPP1SCD
SCHEMBL28111207 0.80 SCD (0.65) DCTPP1SCDSMN1; SMN2
SCHEMBL5309412 0.80 SCD (0.55) DCTPP1SCD
SCHEMBL28836616 0.76 SCD (0.52) SCD
SCHEMBL28111734 0.75 NAMPT (0.49) DCTPP1SCDSMN1; SMN2
SCHEMBL1789762 0.74 HRH3 (0.50) DCTPP1SCD
SCHEMBL1789765 0.74 DCTPP1 (0.43) DCTPP1SCD
SCHEMBL5306200 0.73 DCTPP1 (0.50) DCTPP1SCDPRKAA2
SCHEMBL3084519 0.71 SCD (0.53) DCTPP1SCD
SCHEMBL994925 0.71 SCD (0.67) SCD

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