SCHEMBL5329292

SCHEMBL5329292

CCS(=O)(=O)c1ccc(O)c(N2C(=O)c3cccc4cccc(c34)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1B1 Q16678 1/20 0.44
BRD1 O95696 2/20 0.43
TAF1 P21675 2/20 0.43
BRPF1 P55201 2/20 0.43
BRD4 O60885 1/20 0.43
CASP1 P29466 1/20 0.42
MPI P34949 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42

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
SCHEMBL17200427 0.74 LMNA (0.50) LMNACA12CA1CA2CA9
SCHEMBL18932803 0.71 MEN1 (0.46) LMNACA12CA1CA2CA9
SCHEMBL14652569 0.70 CYP2C9 (0.55) LMNACA12CA1CA2CA9
SCHEMBL29159274 0.68 TDP1 (0.49) LMNAMEN1KMT2AALDH1A1KDM4E
SCHEMBL17620197 0.67 CA2 (1.00) CA12CA1CA2CA9ALDH1A1
SCHEMBL30123663 0.65 ANPEP (0.60) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL18485400 0.65 ALDH1A1 (0.59) LMNACA12CA9MEN1KMT2A
SCHEMBL28517468 0.65 ERCC1 (0.59) CA12CA1CA2CA9MEN1
SCHEMBL24453236 0.64 ERCC1 (0.63) CA12CA1CA2CA9MEN1
SCHEMBL6005895 0.64 ESR1 (0.62) MEN1KMT2AHSD17B10

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-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed