SCHEMBL9979544

SCHEMBL9979544

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 7/20 0.42
ALDH1A1 P00352 3/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 2/20 0.38
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NTRK1 P04629 1/20 0.36
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 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
SCHEMBL5341760 1.00 HTT (0.43) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL14578059 0.91 KDM4E (0.42) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL9979577 0.90 HTT (0.41) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL9979612 0.90 HTT (0.41) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL14612049 0.90 KMT2A (0.46) HTTSMN1; SMN2KDM4EGAAMAPT
SCHEMBL14578299 0.89 HTT (0.45) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL14578213 0.88 HTT (0.40) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL14578227 0.88 SMN1; SMN2 (0.41) HTTSMN1; SMN2KDM4ETDP1GAA
SCHEMBL14578300 0.88 ABCG2 (0.36) HTTSMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL13215927 0.88 HTT (0.40) HTTSMN1; SMN2KDM4ETDP1GAA

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