SCHEMBL11564651

SCHEMBL11564651

CCN(CC)C(=O)n1cnc(S(=O)(=O)N(CC)c2ccc(Cl)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.45
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.38
ESR1 P03372 1/20 0.38
CNR2 P34972 6/20 0.38
CNR1 P21554 5/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR2 O43614 2/20 0.37
NR1I2 O75469 1/20 0.36
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL11559822 0.89 DPP4 (0.48) ACLYMAPTPOLBESR1CNR2
SCHEMBL11559273 0.88 KMT2A (0.44) MAPTESR1CNR2CNR1HCRTR2
SCHEMBL11561748 0.78 DPP4 (0.40) POLBALDH1A1SMN1; SMN2
SCHEMBL11561239 0.78 DPP4 (0.40) MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL11561636 0.77 DPP4 (0.39) POLBALDH1A1SMN1; SMN2
SCHEMBL5376525 0.77 KDM4E (0.40) MAPT
SCHEMBL9015551 0.76 DPP4 (0.40) MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL9542985 0.76 DPP4 (0.42) MAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL11561751 0.75 CA9 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL9544526 0.74 DPP4 (0.40) POLBALDH1A1SMN1; SMN2

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-4148626-A Herbicidal agents THE BOOTS COMPANY LIMITED (GB) 1979-04-10 US disclosed