SCHEMBL5498729

SCHEMBL5498729

Cc1cc(C)nc(C(O)Cc2cccc(Cl)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSP90AA1 P07900 2/20 0.38
ALDH1A1 P00352 2/20 0.36
CD38 P28907 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.34
MAPT P10636 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
NUDT1 P36639 1/20 0.32

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
SCHEMBL5504265 0.87 HTT (0.35) NR4A2LMNASMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL5502568 0.84 NR4A2 (0.40) NR4A2LMNASMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL5499244 0.83 HSP90AA1 (0.35) HSP90AA1ALDH1A1CYP3A4
SCHEMBL5505255 0.81 ITGB1 (0.35) HSP90AA1
SCHEMBL5501408 0.81 NR4A2 (0.38) NR4A2LMNASMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL2288298 0.75 NR4A2 (0.42) NR4A2LMNASMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL2288308 0.75 NR4A2 (0.39) NR4A2LMNASMN1; SMN2HSP90AA1MEN1
SCHEMBL2285469 0.75 NR4A2 (0.44) NR4A2HSP90AA1ALDH1A1CD38MEN1
SCHEMBL5498727 0.72 NR4A2 (0.39) NR4A2LMNASMN1; SMN2HSP90AA1ALDH1A1
SCHEMBL5498612 0.71 HTT (0.35) NR4A2SMN1; SMN2ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE Bayer CropScience Aktiengesellschaft (DE) 2007-04-18 EP disclosed
WO-2006008159-A1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2006-01-26 WO disclosed