SCHEMBL28111207

SCHEMBL28111207

O=C(NCc1cccnc1)c1ccc(N2CCCCC2)nn1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.65
ALDH1A1 P00352 2/20 0.53
HTT P42858 1/20 0.53
MMP13 P45452 1/20 0.53
DCTPP1 Q9H773 6/20 0.52
LMNA P02545 2/20 0.51
DHODH Q02127 1/20 0.51
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
NAMPT P43490 1/20 0.49
POLB P06746 1/20 0.49
TSHR P16473 1/20 0.49

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 0.87 DCTPP1 (0.65) SCDMMP13DCTPP1
SCHEMBL28111205 0.80 DCTPP1 (0.63) SCDDCTPP1SMN1; SMN2
SCHEMBL3226700 0.80 SCD (0.62) SCDHTTMMP13DCTPP1
SCHEMBL3226709 0.80 SCD (0.62) SCDHTTMMP13DCTPP1
SCHEMBL30077095 0.75 PRKCA (0.52) SCDALDH1A1HTTMMP13LMNA
SCHEMBL15347473 0.75 PRKCA (0.52) SCDALDH1A1HTTMMP13LMNA
SCHEMBL29859847 0.74 SMN1; SMN2 (0.59) ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL28836616 0.73 SCD (0.52) SCDNAMPT
SCHEMBL28111734 0.72 NAMPT (0.49) SCDALDH1A1DCTPP1SMN1; SMN2NAMPT
SCHEMBL28111232 0.72 HTT (0.58) ALDH1A1HTTMMP13RECQLKMT2A

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