SCHEMBL11615639

SCHEMBL11615639

CSCCC(NC(=O)Nc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.61
LMNA P02545 3/20 0.60
ATM Q13315 1/20 0.60
PKM P14618 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.50
HPGD P15428 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ALDH1A1 P00352 1/20 0.47
FOLH1 Q04609 1/20 0.46

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
SCHEMBL11613363 0.86 NPSR1 (0.58) NPSR1LMNAATMPKMSMN1; SMN2
SCHEMBL11610956 0.86 LMNA (0.58) NPSR1LMNAATMPKMSMN1; SMN2
SCHEMBL11612850 0.81 NPSR1 (0.74) NPSR1LMNAATMPKMSMN1; SMN2
SCHEMBL20335020 0.81 NPSR1 (0.74) NPSR1LMNAATMSMN1; SMN2MAPK1
SCHEMBL6380632 0.81 NPSR1 (0.74) NPSR1LMNAATMSMN1; SMN2MAPK1
SCHEMBL11617093 0.81 LMNA (0.79) NPSR1LMNAATMSMN1; SMN2MAPK1
SCHEMBL6375965 0.80 LMNA (0.67) NPSR1LMNAATMSMN1; SMN2MAPK1
SCHEMBL8744796 0.79 LMNA (0.58) NPSR1LMNAATMPKMSMN1; SMN2
SCHEMBL8744787 0.79 LMNA (0.58) NPSR1LMNAATMPKMSMN1; SMN2
SCHEMBL11614967 0.79 LMNA (0.59) NPSR1LMNAATMPKMSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4093444-A Hydantoin derivatives and methods for regulating plant-growth PEPRO, SOCIETE POUR LE DEVELOPPEMENT ET LA VENTE DE SPECIALITES CHIMIQUES (FR) 1978-06-06 US disclosed
US-3990883-A N-(1-carboxy-3-methylthio)propyl urea derivatives and compositions having plant-growth regulating properties PEPRO, SOCIETE POUR LE DEVELOPEMENT ET AL VENTE DE SPECIALITIES CHIMIQUES (FR) 1976-11-09 US disclosed