SCHEMBL8107899

SCHEMBL8107899

CN(O)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(C)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.57
SAE1 Q9UBE0 3/20 0.50
UBA2 Q9UBT2 3/20 0.50
TSHR P16473 2/20 0.50
POLB P06746 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
HRH3 Q9Y5N1 1/20 0.47
MTOR P42345 1/20 0.45

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
SCHEMBL14561890 0.87 GAA (0.56) GAATSHRMEN1KMT2AHRH3
SCHEMBL100560 0.86 TSHR (0.63) SAE1UBA2TSHRPOLBMEN1
SCHEMBL7613307 0.81 POLB (0.60) POLBMEN1KMT2A
SCHEMBL16276047 0.80 TSHR (0.63) TSHRPOLBMEN1LMNAKMT2A
SCHEMBL8107929 0.80 SAE1 (0.46) GAASAE1UBA2TSHRPOLB
SCHEMBL14557542 0.80 GAA (0.61) GAATSHRPOLBLMNA
SCHEMBL8616896 0.79 POLB (0.59) GAASAE1UBA2TSHRPOLB
SCHEMBL7616725 0.78 GAA (0.59) GAATSHRPOLBMEN1LMNA
SCHEMBL8101857 0.78 GAA (0.59) GAA
SCHEMBL11860609 0.78 TSHR (0.75) GAATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999028291-A1 BISHYDROXYUREAS AS INHIBITORS OF THE 5-LIPOXYGENASE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-10 WO claimed
US-6121323-A LIPOXYGENASE INHIBITOR 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-09-19 US disclosed
WO-1999028291-A1 BISHYDROXYUREAS AS INHIBITORS OF THE 5-LIPOXYGENASE MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-10 WO disclosed