SCHEMBL7964429

SCHEMBL7964429

COC(=O)/C(Br)=C/c1cc(NC(=O)C2=C(C(N)=O)CCCC2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
DHODH Q02127 5/20 0.38
PARP1 P09874 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
SLC6A2 P23975 3/20 0.35
SLC6A3 Q01959 3/20 0.35
GRM4 Q14833 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RAB9A P51151 1/20 0.35
BCAT2 O15382 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.34
NR4A2 P43354 1/20 0.33

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
SCHEMBL7964432 1.00 NPSR1 (0.41) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL7963035 0.85 NPSR1 (0.37) NPSR1DHODHSLC6A2SLC6A3GRM4
SCHEMBL7963034 0.85 NPSR1 (0.37) NPSR1DHODHSLC6A2SLC6A3GRM4
SCHEMBL7762961 0.81 NPSR1 (0.39) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL7967762 0.81 NPSR1 (0.39) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL9213708 0.81 POLB (0.34) SLC6A2SLC6A3RAB9AMAPTLMNA
SCHEMBL8635219 0.78 NPSR1 (0.39) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL8637532 0.73 NPSR1 (0.40) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL8304677 0.71 NPSR1 (0.50) NPSR1DHODHPARP1PARP15PARP10
SCHEMBL7194464 0.71 NPSR1 (0.54) NPSR1DHODHPARP1PARP15PARP10

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-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed