SCHEMBL9979577

SCHEMBL9979577

Cc1nc(C(F)(F)F)c(C(=O)Nc2ccccc2-c2ccc(/C=N\OC(C)C)cc2)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 5/20 0.40
NTRK1 P04629 2/20 0.37
RECQL P46063 1/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL5341760 0.90 HTT (0.43) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL9979544 0.90 HTT (0.43) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL9979612 0.88 HTT (0.41) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL14578299 0.87 HTT (0.45) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL14578213 0.86 HTT (0.40) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL13215927 0.85 HTT (0.40) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL14578322 0.85 HTT (0.41) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL9979699 0.84 GAA (0.40) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL13215908 0.84 KDM4E (0.39) HTTKDM4ESMN1; SMN2TDP1GAA
SCHEMBL9225609 0.82 MAPT (0.54) HTTKDM4ESMN1; SMN2TDP1GAA

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-1305292-B1 BIPHENYL CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2012-06-20 EP disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed
US-7176228-B2 Pyrazole biphenylcarboxamides BAYER CROPSCIENCE AG (DE) 2007-02-13 US disclosed