SCHEMBL9700622

SCHEMBL9700622

OCC(O)COc1ccc(NNC(c2ccccc2)(c2ccccc2)c2ccccc2)nn1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.36
KDM4E B2RXH2 2/20 0.36
AGTR1 P30556 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
FGFR1 P11362 1/20 0.33
AR P10275 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
VDR P11473 3/20 0.32
CYP2D6 P10635 1/20 0.32
ADRB2 P07550 2/20 0.30
ADRB1 P08588 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9700562 0.75 ADRB2 (0.53) KDM4EMEN1KMT2AADRB2ADRB1
SCHEMBL9700545 0.75 ADRB2 (0.53) KDM4EMEN1KMT2AADRB2ADRB1
SCHEMBL11220147 0.72 CYP1A2 (0.41) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL9700544 0.71 ACSS2 (0.36) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL10570571 0.71 ACSS2 (0.36) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL9700540 0.71 ACSS2 (0.36) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL19736276 0.70 MAPK8 (0.40) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL19706512 0.70 MAPK8 (0.40) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL19728690 0.68 ALDH1A1 (0.37) CYP1A2KDM4EAGTR1LMNACYP2C19
SCHEMBL19699564 0.68 ALDH1A1 (0.37) CYP1A2KDM4EAGTR1LMNACYP2C19

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