SCHEMBL5879673

SCHEMBL5879673

CC(=O)OC1c2ccccc2C(=O)N(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.63
SMN1; SMN2 Q16637 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.52
ALDH1A1 P00352 9/20 0.47
KDM4E B2RXH2 9/20 0.47
HPGD P15428 7/20 0.47
GAA P10253 3/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.45
NPSR1 Q6W5P4 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
SCHEMBL5879731 0.91 HSD17B10 (0.64) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879692 0.86 NOS2 (0.48) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879778 0.83 ITGB3 (0.43) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879513 0.81 DTYMK (0.46) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879601 0.80 HSD17B10 (0.45) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879789 0.79 ITGB3 (0.44) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879590 0.73 ITGB3 (0.54) HSD17B10SMN1; SMN2L3MBTL1ALDH1A1KDM4E
SCHEMBL5879838 0.72 ITGB3 (0.49) HSD17B10ALDH1A1
SCHEMBL5879751 0.72 ITGB3 (0.49) L3MBTL1ALDH1A1KDM4EGAAKMT2A
SCHEMBL5879664 0.71 ITGB3 (0.52) ALDH1A1KDM4EGAAKMT2ACYP3A4

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