SCHEMBL27870448

SCHEMBL27870448

CCOC(=O)CC(=O)Oc1ncc(Cl)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ACACB O00763 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
BCHE P06276 1/20 0.37
LIPE Q05469 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SYK P43405 1/20 0.37
MAPT P10636 1/20 0.37
IP6K1 Q92551 1/20 0.37
TSHR P16473 1/20 0.36

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
SCHEMBL4530859 0.90 ACACB (0.38) S1PR1S1PR3L3MBTL1HPGDACACB
SCHEMBL27510540 0.84 BCHE (0.38) S1PR1S1PR3L3MBTL1KMT2AMEN1
SCHEMBL4530860 0.83 LMNA (0.40) S1PR1S1PR3L3MBTL1ACACBBCHE
SCHEMBL27746406 0.82 BCHE (0.39) S1PR1S1PR3ACACBBCHELIPE
SCHEMBL27725683 0.79 S1PR1 (0.41) S1PR1S1PR3L3MBTL1KMT2AMEN1
SCHEMBL4949823 0.76 ACACB (0.38) ACACBBCHELIPEIP6K1TSHR
SCHEMBL10132038 0.76 S1PR1 (0.42) S1PR1S1PR3L3MBTL1KDM4EMAPT
SCHEMBL27870422 0.75 L3MBTL1 (0.48) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4537672 0.75 LMNA (0.49) L3MBTL1HPGDKDM4EBCHELIPE
SCHEMBL28782994 0.75 SSTR4 (0.41) ACACBSYKIP6K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101326176-B Pyridazine compound and use thereof SUMITOMO CHEMICAL CO 2012-05-30 CN disclosed