SCHEMBL2369909

SCHEMBL2369909

COc1nc(C)nc(NC(=O)c2ccccc2I)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 1/20 0.41
KDR P35968 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNMA1 Q12791 1/20 0.38
F2 P00734 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8304162 0.80 CA1 (0.50) KMT2AMEN1MAPK1
SCHEMBL822334 0.76 RXFP1 (0.64) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL987879 0.76 ALDH1A1 (0.46) KMT2ANPC1MAPTGAASMN1; SMN2
SCHEMBL2892755 0.75 ALDH1A1 (0.45) NPC1MAPTGAASMN1; SMN2
SCHEMBL2893387 0.75 ALDH1A1 (0.45) KMT2ANPC1MAPTGAASMN1; SMN2
SCHEMBL2892748 0.75 ALDH1A1 (0.45) KMT2ANPC1MAPTGAASMN1; SMN2
Lithium SCHEMBL2893392 0.75 ALDH1A1 (0.45) KMT2ANPC1MAPTGAASMN1; SMN2
Potassium SCHEMBL2892705 0.75 ALDH1A1 (0.45) KMT2ANPC1MAPTGAASMN1; SMN2
SCHEMBL2892703 0.75 ALDH1A1 (0.48) KMT2ANPC1MAPTGAASMN1; SMN2
Ammonia Solution, Strong SCHEMBL2895237 0.75 ALDH1A1 (0.45) KMT2ANPC1MAPTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011107445-A1 HYDRATE AND ANHYDROUS CRYSTAL FORM OF THE SODIUM SALT OF 2-IODO-N-[(4-METHOXY-6-METHYL-1,3,5-TRIAZIN-2-YL)CARBAMOYL]BENZENE­SULFONAMIDE, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2011-09-09 WO disclosed
EP-2205092-A2 HERBICIDAL COMBINATION Bayer CropScience AG (DE) 2010-07-14 EP disclosed
WO-2009053053-A2 HERBICIDAL COMBINATION BAYER CROPSCIENCE AG (DE) 2009-04-30 WO disclosed
EP-2052616-A1 Herbicide safener combination Bayer CropScience AG (DE) 2009-04-29 EP disclosed