SCHEMBL16612459

SCHEMBL16612459

CCOC(=O)CC1C=NNC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
HTT P42858 1/20 0.35
MIF P14174 1/20 0.35
RAB9A P51151 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL30135518 0.78 TSHR (0.42) TSHRHSD17B10CYP1A2POLBKMT2A
SCHEMBL9879740 0.73 RAB9A (0.42) TSHRHSD17B10CYP1A2KMT2AALDH1A1
SCHEMBL12480441 0.66 HTT (0.53) TSHRHSD17B10CYP1A2POLBALDH1A1
SCHEMBL6924804 0.66 GSK3A (0.41) TSHRHSD17B10CYP1A2POLBKMT2A
SCHEMBL8172259 0.65 CYP1A2 (0.47) TSHRHSD17B10CYP1A2POLBKMT2A
SCHEMBL736634 0.65 GSK3A (0.40) TSHRHSD17B10CYP1A2KMT2AGSK3A
SCHEMBL1625119 0.65 RAB9A (0.40) TSHRHSD17B10CYP1A2KMT2AALDH1A1
SCHEMBL21527518 0.65 LMNA (0.41) TSHRHSD17B10CYP1A2POLBKMT2A
SCHEMBL4421203 0.64 ALDH1A1 (0.62) TSHRHSD17B10CYP1A2KMT2AALDH1A1
SCHEMBL3942676 0.62 POLB (0.47) TSHRHSD17B10CYP1A2POLBKMT2A

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
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 EP disclosed
EP-2857387-A1 Process for manufacturing 1,6-dihydro-6-oxo-4-pyridazine carboxylic acid BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-08 EP disclosed