SCHEMBL5501405

SCHEMBL5501405

CSCC(c1nc(C)cc(C)n1)c1cccc(Cl)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSP90AA1 P07900 2/20 0.35
CTSA P10619 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
NFKB1 P19838 1/20 0.31
PNMT P11086 1/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31
GAA P10253 1/20 0.31

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 0.86 NR4A2 (0.40) NR4A2MEN1KMT2AHSP90AA1CTSA
SCHEMBL5498727 0.85 NR4A2 (0.39) NR4A2MEN1KMT2AHSP90AA1CTSA
SCHEMBL5501978 0.84 KMT2A (0.36) MEN1KMT2ARAB9AALDH1A1KDM4E
SCHEMBL5505434 0.83 HSP90AA1 (0.34) HSP90AA1CTSARAB9AALDH1A1
SCHEMBL2286349 0.81 NR4A2 (0.40) NR4A2MEN1KMT2AHSP90AA1CTSA
SCHEMBL2289493 0.79 NR4A2 (0.43) NR4A2MEN1KMT2AHSP90AA1LMNA
SCHEMBL2285486 0.79 NR4A2 (0.43) NR4A2MEN1KMT2AHSP90AA1LMNA
SCHEMBL2282987 0.77 NR4A2 (0.42) NR4A2MEN1KMT2AHSP90AA1LMNA
SCHEMBL2288298 0.77 NR4A2 (0.42) NR4A2MEN1KMT2AHSP90AA1CTSA
SCHEMBL5498610 0.73 CYP1A2 (0.33) NR4A2MEN1KMT2ACTSALMNA

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