SCHEMBL7532057

SCHEMBL7532057

CCCCNC(=S)c1cccc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.59
KDM4E B2RXH2 1/20 0.42
FAAH O00519 2/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
MAPK14 Q16539 2/20 0.38
TNNI3K Q59H18 2/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7049877 0.94 MAPT (0.61) MAPTKDM4EFAAHLMNASMN1; SMN2
SCHEMBL7532406 0.87 MAPT (0.65) MAPTKDM4EFAAHLMNAALDH1A1
SCHEMBL7049538 0.83 MAPT (0.54) MAPTKDM4EFAAHLMNAMEN1
SCHEMBL7054493 0.81 MAPT (0.68) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL7609878 0.77 MAPT (0.60) MAPTKDM4EHTTMEN1KMT2A
SCHEMBL8576007 0.77 MAPT (0.65) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL7609940 0.76 MAPT (0.58) MAPTKDM4ELMNAALDH1A1L3MBTL1
SCHEMBL7528425 0.75 MAPT (1.00) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL8065139 0.74 MAPT (0.72) MAPTKDM4EALDH1A1POLBL3MBTL1
SCHEMBL3841693 0.73 MAPT (0.75) MAPTKDM4EALDH1A1POLBL3MBTL1

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
EP-0488474-B1 Herbicidal carboxamide derivatives BASF AG (DE) 2002-04-17 EP disclosed
US-5384305-A Plant growth regulators SHELL RESEARCH LIMITED (GB) 1995-01-24 US disclosed
EP-0488474-A1 Herbicidal carboxamide derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-06-03 EP disclosed