SCHEMBL11119210

SCHEMBL11119210

O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)SCCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
CDK8 P49336 1/20 0.47
NTRK3 Q16288 1/20 0.47
NTRK2 Q16620 1/20 0.47
AURKB Q96GD4 1/20 0.47
MAPT P10636 1/20 0.46
KDR P35968 1/20 0.44
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.42
ROCK2 O75116 5/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
ROCK1 Q13464 1/20 0.39
NPC1 O15118 1/20 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
SCHEMBL11119600 0.84 KDR (0.49) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11121541 0.84 JAK2 (0.50) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11119990 0.84 MAPT (0.49) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11121326 0.84 JAK2 (0.47) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11117029 0.82 ALDH1A1 (0.54) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11121526 0.82 KDR (0.47) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11121204 0.82 KMT2A (0.50) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11120847 0.81 LMNA (0.48) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11115726 0.81 JAK2 (0.45) CYP1A2JAK2NTRK1RETPDGFRB
SCHEMBL11118417 0.81 CYP1A2 (0.55) CYP1A2JAK2NTRK1RETPDGFRB

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