SCHEMBL11117029

SCHEMBL11117029

CCCCSC(=O)Nc1ccc(-c2ccc(=O)[nH]n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MAPT P10636 4/20 0.53
JAK2 O60674 1/20 0.46
NTRK1 P04629 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
CDK8 P49336 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
AURKB Q96GD4 1/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
KDR P35968 1/20 0.45
CYP1A2 P05177 1/20 0.41
PDE3B Q13370 4/20 0.38
PDE3A Q14432 4/20 0.38
PDE4A P27815 3/20 0.38
PDE4B Q07343 3/20 0.38

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
SCHEMBL11119990 0.93 MAPT (0.49) ALDH1A1NPSR1MAPTJAK2NTRK1
SCHEMBL11121526 0.88 KDR (0.47) ALDH1A1NPSR1MAPTJAK2NTRK1
SCHEMBL11121204 0.88 KMT2A (0.50) MAPTJAK2NTRK1RETPDGFRB
SCHEMBL11119600 0.85 KDR (0.49) ALDH1A1NPSR1MAPTJAK2NTRK1
SCHEMBL11121326 0.85 JAK2 (0.47) ALDH1A1NPSR1MAPTJAK2NTRK1
SCHEMBL11121541 0.85 JAK2 (0.50) ALDH1A1NPSR1MAPTJAK2NTRK1
SCHEMBL11120847 0.85 LMNA (0.48) MAPTJAK2NTRK1RETPDGFRB
SCHEMBL11115726 0.82 JAK2 (0.45) MAPTJAK2NTRK1RETPDGFRB
SCHEMBL11119210 0.82 CYP1A2 (0.50) ALDH1A1NPSR1MAPTJAK2NTRK1
SCHEMBL11121938 0.82 KMT2A (0.55) MAPTJAK2NTRK1RETPDGFRB

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-0116853-A1 Pyridazinones, processes for preparing them, therapeutical compositions containing these compounds and their use BASF Aktiengesellschaft (DE) 1984-08-29 EP disclosed