SCHEMBL28111734

SCHEMBL28111734

O=C(NCC1CCC1)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
SCD O00767 4/20 0.48
NAPEPLD Q6IQ20 3/20 0.47
DCTPP1 Q9H773 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL28836616 0.96 SCD (0.52) NAMPTSCDNAPEPLD
SCHEMBL939100 0.89 NAPEPLD (0.48) NAMPTSCDNAPEPLDDCTPP1
SCHEMBL1377378 0.78 SCD (0.79) SCDDCTPP1
SCHEMBL28111774 0.77 HSD11B1 (0.66) ALDH1A1SMN1; SMN2
SCHEMBL936722 0.77 SCD (0.59) SCD
SCHEMBL28111329 0.77 DCTPP1 (0.65) SCDDCTPP1
SCHEMBL12843981 0.76 CNR1 (0.53) NAMPTHDAC6
SCHEMBL28111205 0.75 DCTPP1 (0.63) SCDDCTPP1SMN1; SMN2
SCHEMBL1380904 0.74 SCD (0.70) SCD
SCHEMBL12844005 0.74 NAMPT (0.51) NAMPTHDAC6

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