SCHEMBL11119600

SCHEMBL11119600

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.49
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
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.40
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37

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
SCHEMBL11121526 0.93 KDR (0.47) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11121541 0.88 JAK2 (0.50) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11119990 0.88 MAPT (0.49) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11121326 0.88 JAK2 (0.47) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11117029 0.85 ALDH1A1 (0.54) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11121204 0.85 KMT2A (0.50) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11120847 0.84 LMNA (0.48) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11119210 0.84 CYP1A2 (0.50) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11115726 0.84 JAK2 (0.45) KDRJAK2NTRK1RETPDGFRB
SCHEMBL11119048 0.83 KDR (0.46) KDRJAK2NTRK1RETPDGFRB

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