SCHEMBL8637532

SCHEMBL8637532

NC(=O)C1=C(C(=O)Nc2ccc(Cl)c(C=CC(=O)OCCCl)c2)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 5/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
PARP1 P09874 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DHODH Q02127 3/20 0.34
BCAT2 O15382 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 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
SCHEMBL7963907 0.87 NPSR1 (0.38) NPSR1MAPTMEN1KMT2AALDH1A1
SCHEMBL7762961 0.75 NPSR1 (0.39) NPSR1MAPTKMT2AALDH1A1KDM4E
SCHEMBL7967762 0.75 NPSR1 (0.39) NPSR1MAPTKMT2AALDH1A1KDM4E
SCHEMBL7964429 0.73 NPSR1 (0.41) NPSR1MAPTPARP1PARP15PARP10
SCHEMBL7964432 0.73 NPSR1 (0.41) NPSR1MAPTPARP1PARP15PARP10
SCHEMBL8635219 0.70 NPSR1 (0.39) NPSR1MAPTMEN1KMT2APARP1
SCHEMBL7194464 0.69 NPSR1 (0.54) NPSR1MAPTALDH1A1PARP1PARP15
SCHEMBL4682700 0.67 MAPT (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4682697 0.67 MAPT (0.46) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL7963906 0.65 NPSR1 (0.38) NPSR1MAPTMEN1KMT2AKDM4E

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-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed