SCHEMBL5879692

SCHEMBL5879692

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)N2CCC(Nc3ccccn3)CC2)c2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.48
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
USP2 O75604 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL5879673 0.86 HSD17B10 (0.63) HSD17B10ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL5879513 0.79 DTYMK (0.46) HSD17B10ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5879789 0.78 ITGB3 (0.44) HSD17B10ALDH1A1MEN1KMT2AITGB3
SCHEMBL5879731 0.78 HSD17B10 (0.64) HSD17B10ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL5879751 0.76 ITGB3 (0.49) ALDH1A1MEN1KMT2AITGB3ITGAV
SCHEMBL5879664 0.75 ITGB3 (0.52) ALDH1A1MEN1KMT2AITGB3ITGAV
SCHEMBL5879778 0.75 ITGB3 (0.43) HSD17B10ALDH1A1KMT2AITGB3ITGAV
SCHEMBL5879838 0.75 ITGB3 (0.49) HSD17B10ALDH1A1ITGB3ITGAV
Acetic Acid SCHEMBL5879702 0.74 ITGB3 (0.61) HSD17B10ALDH1A1ITGB3ITGAV
SCHEMBL5879510 0.73 GRIN2B (0.41) ITGB3ITGAV

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-7105508-B1 Integrin receptors antagonists ABBOTT GMBH & CO. KG (DE) 2006-09-12 US disclosed