SCHEMBL28111776

SCHEMBL28111776

O=C(NCc1ccccc1)c1ccc(Nc2ccc(Cl)cc2)nn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
LMNA P02545 4/20 0.64
KDM4E B2RXH2 3/20 0.64
HPGD P15428 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPK1 P28482 1/20 0.64
CNR2 P34972 1/20 0.49
CNR1 P21554 1/20 0.49
DHODH Q02127 3/20 0.48
VNN1 O95497 1/20 0.47
MMP13 P45452 1/20 0.47
SCN2A Q99250 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.44

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 0.91 MMP13 (0.52) MAPTLMNAKDM4EHPGDMEN1
SCHEMBL28836629 0.87 VNN1 (0.56) MAPTLMNAKDM4EHPGDMEN1
SCHEMBL28111232 0.81 HTT (0.58) HPGDKMT2AMMP13ALDH1A1NPSR1
SCHEMBL991659 0.78 MAPT (0.59) MAPTLMNAKDM4EHPGDMEN1
SCHEMBL28111270 0.77 CNR2 (0.60) MAPTLMNAMEN1KMT2ACNR2
SCHEMBL28111211 0.77 MT-CO2 (0.52) MAPTCNR2DHODHVNN1CYP1A2
SCHEMBL5226231 0.72 HDAC6 (0.72) LMNAHPGDMEN1KMT2AMAPK1
SCHEMBL28111752 0.72 TP53 (0.48) HPGDKMT2AMMP13ALDH1A1
SCHEMBL8177097 0.69 RAB9A (0.72) MAPTHPGDMEN1KMT2ACNR1
SCHEMBL3461078 0.69 HDAC6 (0.70) LMNAMEN1KMT2ASCN2ASCN10A

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