SCHEMBL12601436

SCHEMBL12601436

NC(=S)CCC(NC=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
FOLH1 Q04609 5/20 0.37
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
GAA P10253 1/20 0.33
GGH Q92820 1/20 0.33
TGFBR1 P36897 1/20 0.32
NOD1 Q9Y239 2/20 0.32
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31

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
SCHEMBL7046561 0.85 KMT2A (0.47) KMT2AFOLH1RIMKLANAALAD2CA1
SCHEMBL2920459 0.85 KMT2A (0.47) KMT2AFOLH1RIMKLANAALAD2CA1
SCHEMBL702004 0.80 FOLH1 (0.57) FOLH1RIMKLANAALAD2GGH
SCHEMBL702003 0.80 FOLH1 (0.57) FOLH1RIMKLANAALAD2GGH
SCHEMBL15935963 0.80 FOLH1 (0.57) FOLH1RIMKLANAALAD2GGH
SCHEMBL28883926 0.79 FOLH1 (0.55) FOLH1RIMKLANAALAD2GGH
SCHEMBL28525595 0.77 KMT2A (0.40) KMT2AFOLH1RIMKLANAALAD2CA1
SCHEMBL12601703 0.77 KMT2A (0.40) KMT2AFOLH1RIMKLANAALAD2CA1
SCHEMBL17369687 0.74 KMT2A (0.38) KMT2AFOLH1RIMKLANAALAD2CA1
SCHEMBL27291810 0.74 SLC1A1 (0.45) KMT2AFOLH1RIMKLANAALAD2GGH

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-1883645-B1 DERIVATIVES OF 4-OR 5-AMINOSALICYLIC ACID ANTIBE THERAPEUTICS INC (CA) 2011-06-29 EP disclosed