SCHEMBL248731

SCHEMBL248731

Cn1cc(OC(=O)O)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
MAP4K4 O95819 1/20 0.38
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CHEK1 O14757 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35

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
SCHEMBL27919008 0.88 LMNA (0.41) L3MBTL1SMN1; SMN2ALDH1A1HTTMAP4K4
SCHEMBL21188221 0.82 SMN1; SMN2 (0.41) L3MBTL1SMN1; SMN2ALDH1A1HTTMAP4K4
SCHEMBL3260918 0.82 MKNK1 (0.42) L3MBTL1SMN1; SMN2ALDH1A1HTTMAP4K4
SCHEMBL15671544 0.81 SMN1; SMN2 (0.40) L3MBTL1SMN1; SMN2ALDH1A1HTTMAP4K4
SCHEMBL11183659 0.79 KDM4E (0.40) L3MBTL1SMN1; SMN2ALDH1A1HTTMEN1
SCHEMBL27550332 0.79 THRB (0.40) L3MBTL1SMN1; SMN2ALDH1A1HTTMAP4K4
SCHEMBL27515772 0.79 GRM5 (0.51) L3MBTL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL30210744 0.78 HTT (0.46) L3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL10608717 0.78 GABRA1 (0.36)
Trifluoroacetic Acid SCHEMBL28546613 0.77 MET (0.39) L3MBTL1SMN1; SMN2ALDH1A1HTTMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635567-B1 INDOLE DERIVATIVES RICHTER GEDEON NYRT (HU) 2015-10-28 EP claimed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed
EP-0482349-A2 Sulfonamides BASF Aktiengesellschaft (DE) 1992-04-29 EP disclosed