SCHEMBL11117748

SCHEMBL11117748

Cc1ccc(SC(=O)Nc2ccc(-c3ccc(=O)[nH]n3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
LMNA P02545 2/20 0.61
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
KDR P35968 1/20 0.46
CYP1A2 P05177 1/20 0.42
RAB9A P51151 4/20 0.40
MAPT P10636 3/20 0.40
ALPL P05186 2/20 0.40
POLB P06746 1/20 0.40
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
PDE4A P27815 1/20 0.39

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
SCHEMBL11116074 0.88 MEN1 (0.52) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11118417 0.88 CYP1A2 (0.55) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11119837 0.85 JAK2 (0.44) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11117718 0.84 JAK2 (0.43) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11121938 0.83 KMT2A (0.55) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11116148 0.82 LMNA (0.57) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11115285 0.79 KMT2A (0.50) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11121204 0.79 KMT2A (0.50) KMT2AMEN1LMNAJAK2NTRK1
SCHEMBL11035831 0.78 LMNA (1.00) KMT2AMEN1LMNACYP1A2RAB9A
SCHEMBL11118457 0.77 KMT2A (0.58) KMT2AMEN1LMNAJAK2NTRK1

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