SCHEMBL6511684

SCHEMBL6511684

Cc1ccc(CCNC(=O)C(NC(=O)OC(C)C)C(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 1/20 0.55
CA2 P00918 3/20 0.55
CA5A P35218 1/20 0.52
CA1 P00915 1/20 0.47
HTT P42858 1/20 0.46
MEN1 O00255 3/20 0.46
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MMP8 P22894 2/20 0.43

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
SCHEMBL8712523 1.00 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178097 0.90 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178799 0.90 KMT2A (0.55) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9181730 0.89 KMT2A (0.52) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9175842 0.89 KMT2A (0.71) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9178662 0.89 KMT2A (0.71) KMT2ALMNAPOLBCA2CA5A
SCHEMBL8968192 0.88 CA2 (0.61) KMT2ALMNAPOLBCA2CA5A
SCHEMBL8898123 0.88 KMT2A (0.54) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9181012 0.88 KMT2A (0.54) KMT2ALMNAPOLBCA2CA5A
SCHEMBL9180326 0.85 CA1 (0.54) KMT2ALMNAPOLBCA2CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453531-A Insecticides, fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 US claimed
WO-2005026139-A1 NEMATICIDAL DIFLUOROALKENES BAYER CROPSCIENCE AG (DE) 2005-03-24 WO disclosed
WO-2003029231-A1 NEMATICIDAL TRIFLUOROBUTENE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2003-04-10 WO disclosed
EP-1200425-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (JP) 2002-05-02 EP disclosed
WO-2001005787-A1 THIENYL-PYRAZOLES AND THEIR USE FOR CONTROLLING PESTS NIHON BAYER AGROCHEM K.K. (DE) 2001-01-25 WO disclosed