SCHEMBL4947714

SCHEMBL4947714

CC(=O)Oc1ncc(Cl)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
APEX1 P27695 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.47
LIPE Q05469 4/20 0.46
BCHE P06276 1/20 0.45
L3MBTL1 Q9Y468 4/20 0.42
IP6K1 Q92551 2/20 0.39
PSMB5 P28074 1/20 0.38
PLAU P00749 1/20 0.37
RORC P51449 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
ALOX12 P18054 1/20 0.36
PTK2 Q05397 1/20 0.36
KMT2A Q03164 1/20 0.36
IP6K3 Q96PC2 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
SCHEMBL3998742 0.83 LMNA (0.52) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL4949823 0.82 ACACB (0.38) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL27956164 0.82 POLB (0.42) TSHRLIPEBCHEPLAURORC
SCHEMBL27956181 0.82 ALDH1A1 (0.38) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL3384800 0.81 LIPE (0.35) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL27406467 0.81 TSHR (0.41) TSHRPLAURORCKDM4E
SCHEMBL4537672 0.80 LMNA (0.49) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL10435485 0.78 L3MBTL1 (0.46) LMNACYP2C9TSHRAPEX1SMN1; SMN2
SCHEMBL16322862 0.77 MAPT (0.39) LMNAMAPK1KMT2A
SCHEMBL4537676 0.76 L3MBTL1 (0.49) LMNACYP2C9TSHRAPEX1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
EP-1958946-A1 PYRIDAZINE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
CN-1281591-C 4-aminopyridinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2006-10-25 CN disclosed
CN-1416419-A 4-aminopyridinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2003-05-07 CN disclosed