SCHEMBL8107929

SCHEMBL8107929

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 3/20 0.46
UBA2 Q9UBT2 3/20 0.46
TSHR P16473 1/20 0.46
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
HPGD P15428 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.41
ATM Q13315 1/20 0.40

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
SCHEMBL19996522 0.84 MAPT (0.53) SAE1UBA2TSHRLMNAKMT2A
SCHEMBL8109468 0.83 SAE1 (0.44) SAE1UBA2TSHRLMNAKMT2A
SCHEMBL7609936 0.83 NPC1 (0.61) POLBHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL7616604 0.81 MEN1 (0.49) LMNAKMT2APOLBMEN1HTT
SCHEMBL9067959 0.81 MEN1 (0.56) TSHRLMNAKMT2APOLBMEN1
SCHEMBL7608931 0.80 MTOR (0.57) TSHRLMNAKMT2AMEN1HPGD
SCHEMBL8107899 0.80 GAA (0.57) SAE1UBA2TSHRLMNAKMT2A
SCHEMBL24767416 0.80 TSHR (0.47) SAE1UBA2TSHRLMNAKMT2A
SCHEMBL7615446 0.79 SLC1A3 (0.51) KMT2AMEN1SLC1A3SLC1A2SLC1A1
SCHEMBL100560 0.78 TSHR (0.63) SAE1UBA2TSHRLMNAKMT2A

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