SCHEMBL9979699

SCHEMBL9979699

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
MAPT P10636 4/20 0.38
SOAT1 P35610 2/20 0.36
ALDH1A1 P00352 1/20 0.35
FAAH O00519 2/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
POLB P06746 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
SCHEMBL14578213 0.95 HTT (0.40) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL9979612 0.91 HTT (0.41) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL13215927 0.87 HTT (0.40) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL5341760 0.87 HTT (0.43) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL9979544 0.87 HTT (0.43) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL13215908 0.86 KDM4E (0.39) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL14578115 0.86 GAA (0.40) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL14578384 0.86 KMT2A (0.43) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL9979577 0.84 HTT (0.41) GAAKDM4EHTTSMN1; SMN2TDP1
SCHEMBL14578299 0.84 HTT (0.45) GAAKDM4EHTTSMN1; SMN2TDP1

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