SCHEMBL28111232

SCHEMBL28111232

O=C(NCc1cccnc1)c1ccc(Nc2ccccc2)nn1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.58
USP2 O75604 1/20 0.55
MMP13 P45452 1/20 0.55
POLB P06746 1/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
RECQL P46063 1/20 0.52
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
ALDH1A1 P00352 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NAMPT P43490 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL28111733 0.89 MMP13 (0.52) MMP13KMT2ASMN1; SMN2RAB9ARECQL
SCHEMBL28111776 0.81 MAPT (0.64) HTTMMP13KMT2AHPGDALDH1A1
SCHEMBL29818253 0.78 KMT2A (0.52) HTTUSP2KMT2ASMN1; SMN2RAB9A
SCHEMBL28836629 0.78 VNN1 (0.56) MMP13KMT2ASMN1; SMN2RAB9ARECQL
SCHEMBL28111242 0.77 RAB9A (0.53) HTTUSP2MMP13POLBKMT2A
SCHEMBL1161997 0.75 NAMPT (0.75) HTTUSP2MMP13KMT2AALDH1A1
SCHEMBL29800992 0.74 HTT (1.00) HTTUSP2MMP13POLBKMT2A
SCHEMBL16598258 0.72 HTT (0.76) HTTUSP2MMP13POLBKMT2A
SCHEMBL11614852 0.72 SMN1; SMN2 (0.81) HTTPOLBKMT2ASMN1; SMN2TSHR
SCHEMBL28111207 0.72 SCD (0.65) HTTMMP13POLBKMT2ASMN1; SMN2

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