SCHEMBL11246084

SCHEMBL11246084

COc1cc(NC(=O)C2=C(C(=O)N(C)C)CCCC2)ccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAOB P27338 3/20 0.54
NPSR1 Q6W5P4 1/20 0.46
MAOA P21397 1/20 0.46
MAPT P10636 3/20 0.45
DHODH Q02127 1/20 0.44
NPC1 O15118 4/20 0.44
POLB P06746 1/20 0.44
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
TP53 P04637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL11242017 0.83 GRM4 (0.43) GRM4HDAC6MAOBNPSR1MAPT
SCHEMBL11241892 0.80 TSHR (0.53) MAOBNPSR1MAPTDHODHNPC1
SCHEMBL11256040 0.77 SLC6A3 (0.46) GRM4HDAC6NPSR1MAPTDHODH
SCHEMBL11249257 0.76 GRM4 (0.42) GRM4NPSR1MAPTDHODHNPC1
SCHEMBL7963909 0.74 KMT2A (0.42) NPSR1MAPTDHODHNPC1SMN1; SMN2
SCHEMBL7767725 0.74 KMT2A (0.39) NPSR1MAPTDHODHNPC1SMN1; SMN2
SCHEMBL7963907 0.74 NPSR1 (0.38) MAOBNPSR1MAPTDHODHRAB9A
SCHEMBL7963906 0.74 NPSR1 (0.38) GRM4HDAC6NPSR1MAPTDHODH
SCHEMBL9730182 0.72 GRM4 (0.61) GRM4HDAC6MAOBNPSR1MAPT
SCHEMBL9833799 0.72 GRM4 (0.61) GRM4HDAC6MAOBNPSR1MAOA

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
US-4362546-A Tetrahydrophthalamide derivatives, herbicidal compositions and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-12-07 US disclosed