SCHEMBL11114594

SCHEMBL11114594

CCC(=O)NC(=O)Nc1cc(C(C)(C)C)no1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
MAPK14 Q16539 10/20 0.56
RAF1 P04049 2/20 0.53
CNR2 P34972 4/20 0.49
MAPK13 O15264 2/20 0.47
FLT3 P36888 1/20 0.45
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
EPHB2 P29323 1/20 0.42
KDR P35968 1/20 0.42
CNR1 P21554 1/20 0.41
BRAF P15056 1/20 0.41

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
SCHEMBL9892786 0.88 ALDH1A1 (0.65) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL11050897 0.84 ALDH1A1 (0.72) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL15121199 0.82 ALDH1A1 (0.70) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL10804133 0.80 ALDH1A1 (1.00) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL14379225 0.79 ALDH1A1 (0.74) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL18232996 0.79 ALDH1A1 (0.74) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL26789822 0.79 ALDH1A1 (0.53) ALDH1A1MAPK14CNR2CNR1
SCHEMBL4442892 0.78 ALDH1A1 (0.65) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL20458272 0.78 ALDH1A1 (0.63) ALDH1A1MAPK14RAF1CNR2MAPK13
SCHEMBL14647382 0.78 ALDH1A1 (0.51) ALDH1A1MAPK14RAF1CNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0114456-A2 Acylated isoxazolyl ureas, their preparation, herbicidal formulations containing the same, and a herbicidal method SHIONOGI & CO., LTD. (JP) 1984-08-01 EP disclosed