SCHEMBL5498727

SCHEMBL5498727

Cc1cc(C)nc(C(CO)c2cccc(Cl)c2N)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.39
HSP90AA1 P07900 2/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CTSA P10619 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP3A4 P08684 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CD38 P28907 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
PNMT P11086 1/20 0.32
NR4A1 P22736 1/20 0.32
HTT P42858 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
SCHEMBL5502566 0.87 NR4A2 (0.40) NR4A2HSP90AA1LMNASMN1; SMN2CTSA
SCHEMBL5504262 0.87 CTSA (0.33) NR4A2HSP90AA1LMNACTSAMEN1
SCHEMBL5501405 0.85 NR4A2 (0.38) NR4A2HSP90AA1LMNASMN1; SMN2CTSA
SCHEMBL5499243 0.83 CTSA (0.36) HSP90AA1CTSAALDH1A1
SCHEMBL2288298 0.81 NR4A2 (0.42) NR4A2HSP90AA1LMNASMN1; SMN2CTSA
SCHEMBL5505254 0.81 ITGB1 (0.35) HSP90AA1CTSACYP3A4CYP1A2CYP2D6
SCHEMBL2289493 0.80 NR4A2 (0.43) NR4A2HSP90AA1LMNASMN1; SMN2MEN1
SCHEMBL2285486 0.80 NR4A2 (0.43) NR4A2HSP90AA1LMNASMN1; SMN2MEN1
SCHEMBL2282987 0.78 NR4A2 (0.42) NR4A2HSP90AA1LMNASMN1; SMN2MEN1
SCHEMBL2286349 0.76 NR4A2 (0.40) NR4A2HSP90AA1LMNASMN1; SMN2CTSA

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