SCHEMBL13869708

SCHEMBL13869708

O=C1c2sc3nc(-c4cccs4)n(Cc4ccccc4)c(=O)c3c2CCC1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
KDM4E B2RXH2 7/20 0.44
MAPT P10636 5/20 0.44
POLB P06746 5/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 3/20 0.44
TDP1 Q9NUW8 3/20 0.44
RAB9A P51151 3/20 0.44
BLM P54132 1/20 0.44
GFER P55789 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
TP53 P04637 5/20 0.42
HSD17B10 Q99714 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 3/20 0.42
CASP1 P29466 3/20 0.42

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
SCHEMBL13176432 0.89 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2926919 0.88 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2921596 0.87 POLB (0.44) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2920448 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2926159 0.83 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2917209 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL3031226 0.81 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2925273 0.79 HSD11B1 (0.41) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2925815 0.79 HSD11B1 (0.48) ALDH1A1KDM4EMAPTPOLBMEN1
SCHEMBL2924576 0.79 MAPT (0.67) ALDH1A1KDM4EMAPTPOLBMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7524853-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2009-04-28 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed
US-7465739-B2 Compounds and their use in therapy SOLVAY PHARMACEUTICALS B.V. (NL) 2008-12-16 US disclosed