SCHEMBL9743286

SCHEMBL9743286

C=CCC(=O)C1Sc2ccccc2N1O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ KCNH2 Q12809 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ BCHE P06276 1/20 0.33

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
SCHEMBL9739896 0.74 BCHE (0.44) GSK3BKMT2AMEN1LMNABCHE
SCHEMBL16871129 0.68 GSK3B (0.40) GSK3BKMT2AMEN1LMNAPOLB
SCHEMBL19675523 0.65 NOX1 (0.44) GSK3BKMT2AMEN1LMNABCHE
SCHEMBL28714775 0.64 BCHE (0.36) GSK3BKMT2AMEN1LMNABCHE
SCHEMBL28131846 0.63 NOX1 (0.42) GSK3BKMT2AMEN1LMNABCHE
SCHEMBL28168110 0.62 NOX1 (0.41) GSK3BKMT2AMEN1LMNAPOLB
SCHEMBL9433695 0.60 GSK3B (0.43) GSK3BKMT2AMEN1POLB
SCHEMBL28691443 0.60 GSK3B (0.37) GSK3BKMT2AKCNH2MEN1POLB
SCHEMBL10411671 0.60 KMT2A (0.54) KMT2AMEN1LMNABCHE
SCHEMBL8743157 0.59 GSK3B (0.40) GSK3BKMT2AKCNH2MEN1POLB

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
US-5096910-A For plants BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
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