SCHEMBL9689585

SCHEMBL9689585

O=C(O)CNC(=O)CNC(=O)CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
CTH P32929 1/20 0.39
ALDH1A1 P00352 4/20 0.38
EGLN1 Q9GZT9 2/20 0.38
ITGB1 P05556 1/20 0.37
ITGA5 P08648 1/20 0.37
MAPT P10636 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.37
PTGS2 P35354 1/20 0.37
FAAH O00519 5/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
CPA1 P15085 1/20 0.35
ACE2 Q9BYF1 1/20 0.35
PTPN1 P18031 1/20 0.35
MEN1 O00255 2/20 0.34
APEX1 P27695 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2902587 0.95
Glycine SCHEMBL9555848 0.86 GLRA1 (0.46) TSHRCTHALDH1A1EGLN1ITGB1
SCHEMBL3379485 0.80 ALDH1A1 (0.38) CTHALDH1A1EGLN1ITGB1ITGA5
SCHEMBL10067714 0.79 EGLN1 (0.41) CTHALDH1A1EGLN1ITGB1ITGA5
SCHEMBL14369161 0.78 MCL1 (0.41) ALDH1A1LMNAFAAHMEN1KMT2A
SCHEMBL11115141 0.78 MAOA (0.30)
SCHEMBL4804241 0.77 ALDH1A1 (0.39) CTHALDH1A1EGLN1ITGB1ITGA5
SCHEMBL4804250 0.77 PTPN1 (0.40) CTHALDH1A1EGLN1ITGB1ITGA5
SCHEMBL3382017 0.77 ALDH1A1 (0.39) CTHALDH1A1EGLN1ITGB1ITGA5
SCHEMBL2807522 0.75 EGLN1 (0.46) CTHALDH1A1EGLN1ITGB1ITGA5

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-5089388-A Conjugates of a salicyclic acid derivative and a polypeptide or enzyme for sensitive immunoassays to monitor serum aspirin concentration SYNTEX (U.S.A.) INC. (US) 1992-02-18 US disclosed