SCHEMBL10168223

SCHEMBL10168223

COC(=O)[C@H](C)NC(=O)c1c(Cl)cc2c(c1Cl)CCNC2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PNMT P11086 2/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ITGB2 P05107 5/20 0.34
ICAM1 P05362 5/20 0.34
ITGAL P20701 5/20 0.34
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL18868586 0.88 ITGB2 (0.39) PNMTITGB2ICAM1ITGALHTR2B
SCHEMBL10129638 0.80 PNMT (0.42) PNMTHDAC6HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL23422078 0.79 PNMT (0.41) PNMTHDAC6HTR2AHTR2CHTR2B
SCHEMBL29183920 0.77 ADORA1 (0.49) LMNAPNMT
SCHEMBL28978402 0.76 PNMT (0.45) PNMTHTR2AHTR2CHTR2B
SCHEMBL15445349 0.76 PNMT (0.45) PNMTHTR2AHTR2CHTR2B
SCHEMBL10129610 0.76 ITGAL (0.56) ITGB2ICAM1ITGAL
SCHEMBL12749585 0.75 ITGB2 (0.37) ITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL29547703 0.75 ITGB2 (0.55) ITGB2ICAM1ITGAL
SCHEMBL21413286 0.75 PNMT (0.46) PNMTHTR2AHTR2CHTR2B

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
EP-1682537-B1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC (US) 2012-03-28 EP disclosed