SCHEMBL11114055

SCHEMBL11114055

O=C(Nc1ccc(-c2ccc(=O)[nH]n2)cc1)SCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 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
KDR P35968 1/20 0.46
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
ACR P10323 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL11119913 0.89 KDR (0.48) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11116148 0.89 LMNA (0.57) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11119331 0.86 LMNA (0.60) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11119372 0.85 JAK2 (0.41) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11116074 0.82 MEN1 (0.52) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11121541 0.81 JAK2 (0.50) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11121204 0.81 KMT2A (0.50) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11114047 0.80 AURKB (0.67) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11116147 0.80 JAK2 (0.55) KMT2AMEN1JAK2NTRK1RET
SCHEMBL11116531 0.80 MEN1 (0.54) KMT2AMEN1JAK2NTRK1RET

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