SCHEMBL9700573

SCHEMBL9700573

CC1(C)OCC(COc2ccc(NNC(c3ccccc3)(c3ccccc3)c3ccccc3)nn2)O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.36
TMEM97 Q5BJF2 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CCNK O75909 1/20 0.33
CDK12 Q9NYV4 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
CA2 P00918 1/20 0.32
KCNJ5 P48544 1/20 0.31
KCNJ3 P48549 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9699455 0.76 KCNJ5 (0.35) MAPK14TMEM97SIGMAR1MEN1KMT2A
SCHEMBL17769477 0.73 CA2 (0.43) MAPK14MEN1KMT2ACCNKCDK12
SCHEMBL17768052 0.73 CA2 (0.43) MAPK14MEN1KMT2ACCNKCDK12
SCHEMBL17768055 0.73 CA2 (0.43) MAPK14MEN1KMT2ACCNKCDK12
SCHEMBL11156125 0.73 CHRNB2 (0.43) MAPK14TMEM97SIGMAR1MEN1KMT2A
SCHEMBL22710272 0.69 TDP1 (0.59) MAPK14TMEM97SIGMAR1MEN1KMT2A
SCHEMBL1817280 0.67 CA2 (0.43) MAPK14TMEM97SIGMAR1MEN1KMT2A
SCHEMBL30918574 0.67 CA2 (0.43) MAPK14TMEM97SIGMAR1MEN1KMT2A
SCHEMBL1817279 0.67 CA2 (0.43) MAPK14TMEM97SIGMAR1MEN1KMT2A
SCHEMBL9981632 0.67 CA2 (0.43) MAPK14TMEM97SIGMAR1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5082939-A Pyridazine derivatives I.S.F. SOCIETA PER AZIONI (IT) 1992-01-21 US disclosed
US-4873328-A Process for preparing alkoxyalkylidenehydrazinopyridazine derivatives I.S.F. SOCIETA PER AZIONI (IT) 1989-10-10 US disclosed
EP-0274409-A2 Process for preparing alkoxyalkyl-idenehydrazinopyridazine derivatives I.S.F. Socièta per Azioni (IT) 1988-07-13 EP disclosed