SCHEMBL7961296

SCHEMBL7961296

CCCNC(=O)C(C)=Cc1cc(NC(=O)C2=C(C(=O)NCCC)CCCC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
IDO1 P14902 2/20 0.37
KCNH2 Q12809 1/20 0.37
DHODH Q02127 3/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 1/20 0.36
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7961292 1.00 NPSR1 (0.41) NPSR1KMT2AMEN1IDO1KCNH2
SCHEMBL8635219 0.93 NPSR1 (0.39) NPSR1KMT2AMEN1IDO1KCNH2
SCHEMBL8635218 0.73 SLC6A2 (0.31) SLC6A2SLC6A3
SCHEMBL8635223 0.73 SLC6A2 (0.31) SLC6A2SLC6A3
SCHEMBL11137012 0.71 KMT2A (0.42) NPSR1KMT2AMEN1IDO1KCNH2
SCHEMBL8304677 0.70 NPSR1 (0.50) NPSR1KMT2ADHODHLMNA
SCHEMBL7964429 0.69 NPSR1 (0.41) NPSR1DHODHRAB9ASLC6A2SLC6A3
SCHEMBL7762961 0.69 NPSR1 (0.39) NPSR1KMT2ADHODHNPC1RAB9A
SCHEMBL7967762 0.69 NPSR1 (0.39) NPSR1KMT2ADHODHNPC1RAB9A
SCHEMBL7767725 0.68 KMT2A (0.39) NPSR1KMT2AMEN1DHODHL3MBTL1

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
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
EP-0637298-B1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AG (DE) 1999-03-31 EP disclosed
EP-0637298-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF Aktiengesellschaft (DE) 1995-02-08 EP disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed