SCHEMBL7862054

SCHEMBL7862054

CCOC(=O)CC(c1ccccc1)c1cccc(CCc2cccc(NC(=N)N)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.52
F2 P00734 5/20 0.47
MAPT P10636 5/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 1/20 0.47
PRSS1 P07477 1/20 0.45
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
AOC3 Q16853 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
SCHEMBL7863285 0.86 ITGB3 (0.48) F10F2MAPTMAPK1POLB
SCHEMBL7864169 0.86 F10 (0.48) F10F2MAPTMAPK1POLB
SCHEMBL8501220 0.75 ITGB3 (0.42) POLBMEN1KMT2AITGB3ITGA2B
Nitrous Acid SCHEMBL5997813 0.74 F10 (0.44) F10MAPTMAPK1ALDH1A1MEN1
SCHEMBL7863273 0.74 FFAR1 (0.43) MAPTMAPK1POLBLMNAITGB3
SCHEMBL7856520 0.74 F10 (0.51) F10F2MAPTMAPK1POLB
SCHEMBL7863151 0.74 KMT2A (0.57) F10MEN1KMT2A
SCHEMBL7178642 0.74 ALDH1A1 (0.55) F10F2MAPTPOLBALDH1A1
SCHEMBL8431172 0.73 MAPT (0.46) F2MAPTMAPK1POLBPRSS1
SCHEMBL7861966 0.73 NAMPT (0.55) MAPTMAPK1ALDH1A1LMNA

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
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP disclosed