SCHEMBL9726698

SCHEMBL9726698

[CH]=CC(=O)NCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 1/20 0.50
RECQL P46063 1/20 0.48
KDM4E B2RXH2 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
EPHX2 P34913 1/20 0.43
TSHR P16473 5/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
CA12 O43570 2/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
NLRP3 Q96P20 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 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
SCHEMBL9726440 0.81 GAA (0.52) KDM4EEPHX2TSHRGAAMGAM
SCHEMBL27901303 0.79 TET2 (0.52) TET2RECQLKDM4ECYP1A2CYP2C19
SCHEMBL7826276 0.79 TET2 (0.52) TET2RECQLKDM4ECYP1A2CYP2C19
SCHEMBL9726435 0.78 TSHR (0.48) RECQLKDM4EEPHX2TSHRHSD17B10
SCHEMBL4813094 0.77 TSHR (0.52) TET2RECQLKDM4ECYP1A2CYP2C19
SCHEMBL15482649 0.76 TET2 (0.48) TET2RECQLKDM4ECYP1A2CYP2C19
SCHEMBL28226928 0.76 CYP1A2 (0.51) TET2RECQLKDM4ECYP1A2CYP2C19
SCHEMBL21183495 0.76 CYP1A2 (0.51) TET2RECQLKDM4ECYP1A2CYP2C19
SCHEMBL9726624 0.75 TSHR (0.52) RECQLEPHX2TSHRCA12ALDH1A1
SCHEMBL10539774 0.74 CYP2C19 (0.50) TET2RECQLKDM4ECYP1A2CYP2C19

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-5098900-A Reducing contractions in smooth muscles NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1992-03-24 US disclosed
EP-0186817-B1 3(2H)PYRIDAZINONE, PROCESS FOR ITS PREPARATION AND ANTI-ALLERGIC AGENT CONTAINING IT NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-08-02 EP disclosed
EP-0186817-A1 3(2H)pyridazinone, process for its preparation and anti-allergic agent containing it NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1986-07-09 EP disclosed