SCHEMBL9979545

SCHEMBL9979545

CCCCO/N=C/c1ccc(-c2ccccc2NC(=O)c2c(C)nn(C)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 4/20 0.43
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SOAT1 P35610 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL14578189 0.95 NR3C1 (0.41) NR3C1PPARGPPARAHDAC1HDAC2
SCHEMBL14578333 0.91 SMN1; SMN2 (0.41) SMN1; SMN2LMNAALDH1A1HPGDMEN1
SCHEMBL14266463 0.90 PPARG (0.40) NR3C1PPARGPPARAHDAC1HDAC2
SCHEMBL9979598 0.86 LMNA (0.45) NR3C1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL14266391 0.82 ALDH1A1 (0.38) NR3C1HDAC1HDAC2SMN1; SMN2LMNA
SCHEMBL14266429 0.80 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1HPGDMEN1
SCHEMBL9979722 0.80 NR3C1 (0.42) NR3C1SMN1; SMN2LMNAALDH1A1HPGD
SCHEMBL11930692 0.79 ALDH1A1 (0.57) SMN1; SMN2LMNAALDH1A1HPGDMEN1
SCHEMBL9979546 0.79 L3MBTL1 (0.47) SMN1; SMN2ALDH1A1HPGDMEN1KMT2A
SCHEMBL14578338 0.79 ALDH1A1 (0.43) NR3C1SMN1; SMN2LMNAALDH1A1HPGD

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