SCHEMBL11119331

SCHEMBL11119331

COc1ccc(CSC(=O)Nc2ccc(-c3ccc(=O)[nH]n3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
TP53 P04637 1/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 1/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
ALPL P05186 2/20 0.43
ROCK2 O75116 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACR P10323 1/20 0.42
JAK2 O60674 1/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
CDK8 P49336 1/20 0.42
NTRK3 Q16288 1/20 0.42
NTRK2 Q16620 1/20 0.42

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
SCHEMBL11116148 0.88 LMNA (0.57) LMNATP53MAPTALPLRAB9A
SCHEMBL11119913 0.86 KDR (0.48) LMNATP53MAPTALPLROCK2
SCHEMBL11114055 0.86 KMT2A (0.49) LMNAMAPTALPLRAB9AACR
SCHEMBL11119372 0.82 JAK2 (0.41) LMNAMAPTALDH1A1NPC1RAB9A
SCHEMBL11121204 0.81 KMT2A (0.50) LMNAMAPTROCK2NPC1RAB9A
SCHEMBL11120847 0.80 LMNA (0.48) LMNATP53MAPTNPC1RAB9A
SCHEMBL11119990 0.78 MAPT (0.49) LMNATP53MAPTALDH1A1NPC1
SCHEMBL11121938 0.78 KMT2A (0.55) LMNATP53MAPTROCK2NPC1
SCHEMBL1376637 0.77 LMNA (1.00) LMNATP53MAPTALDH1A1GSK3A
SCHEMBL11117029 0.77 ALDH1A1 (0.54) LMNAMAPTALDH1A1ALPLNPC1

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