SCHEMBL9979612

SCHEMBL9979612

CCO/N=C\c1ccc(-c2ccccc2NC(=O)c2sc(C)nc2C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 6/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
WDR5 P61964 1/20 0.35
NTRK1 P04629 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 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
SCHEMBL14578213 0.93 HTT (0.40) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL13215927 0.92 HTT (0.40) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL9979699 0.91 GAA (0.40) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL14578184 0.90 KMT2A (0.44) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL5341760 0.90 HTT (0.43) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL9979544 0.90 HTT (0.43) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL13215908 0.89 KDM4E (0.39) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL9979577 0.88 HTT (0.41) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL14578299 0.87 HTT (0.45) HTTKDM4ETDP1SMN1; SMN2GAA
SCHEMBL14578061 0.85 KDM4E (0.41) HTTKDM4ETDP1SMN1; SMN2GAA

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