SCHEMBL27828596

SCHEMBL27828596

CC(C(=O)C(C)c1nc(CCl)cs1)c1nc(CCl)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 9/20 0.39
TDP1 Q9NUW8 7/20 0.39
LMNA P02545 4/20 0.38
MAPT P10636 4/20 0.38
GFER P55789 3/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 6/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 1/20 0.35
TLR7 Q9NYK1 1/20 0.33
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL854723 0.80 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AALDH1A1TDP1LMNA
SCHEMBL28277531 0.80 ENPP2 (0.38) KMT2ASLC6A3
SCHEMBL210964 0.80 SLC6A3 (0.46) SMN1; SMN2KMT2AALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL4943059 0.78 SLC6A3 (0.45) SMN1; SMN2KMT2AALDH1A1TDP1LMNA
SCHEMBL27828597 0.76 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1TDP1LMNA
SCHEMBL27969194 0.75 SLC6A3 (0.32) ALDH1A1KDM4ESLC6A3
SCHEMBL27832695 0.73 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AALDH1A1TDP1LMNA
SCHEMBL27882060 0.73 GRM5 (0.41) SMN1; SMN2TLR7
Hydrochloric Acid SCHEMBL7179531 0.71 RAB9A (0.46) SMN1; SMN2KMT2AALDH1A1TDP1LMNA
SCHEMBL855213 0.69 SMN1; SMN2 (0.57) SMN1; SMN2KMT2AALDH1A1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102414168-B Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2014-05-21 CN disclosed
CN-101903378-B Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2014-03-12 CN disclosed
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN disclosed
CN-102414168-A Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD 2012-04-11 CN disclosed
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed
CN-101903378-A Aminotriazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN disclosed