SCHEMBL11242017

SCHEMBL11242017

C=CCOc1cc(NC(=O)C2=C(C(=O)N(C)C)CCCC2)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.43
HDAC6 Q9UBN7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
DHODH Q02127 2/20 0.39
POLB P06746 3/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APEX1 P27695 1/20 0.36
PPOX P50336 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL11246084 0.83 GRM4 (0.56) GRM4HDAC6NPSR1KDM4EMEN1
SCHEMBL11256040 0.78 SLC6A3 (0.46) GRM4HDAC6NPSR1MEN1ALDH1A1
SCHEMBL11241892 0.74 TSHR (0.53) NPSR1MEN1ALDH1A1KMT2ADHODH
SCHEMBL7963909 0.73 KMT2A (0.42) NPSR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7767725 0.72 KMT2A (0.39) NPSR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7963907 0.72 NPSR1 (0.38) NPSR1KDM4EMEN1ALDH1A1KMT2A
SCHEMBL7963906 0.72 NPSR1 (0.38) GRM4HDAC6NPSR1KDM4EMEN1
SCHEMBL11249257 0.70 GRM4 (0.42) GRM4NPSR1KDM4EMEN1ALDH1A1
SCHEMBL4125735 0.65 TDP1 (0.56) MEN1ALDH1A1KMT2APOLBNPC1
SCHEMBL2522639 0.64 KDM4E (0.47) KDM4EMEN1ALDH1A1KMT2AGAA

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