SCHEMBL21742029

SCHEMBL21742029

CCCCC(P)(CC)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP19A1 P11511 1/20 0.38
CHRM2 P08172 1/20 0.37
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALOX12 P18054 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
HSP90AA1 P07900 1/20 0.36
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 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
SCHEMBL18760495 0.79 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL21788784 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL19573802 0.79 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL21742085 0.78 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL8347844 0.77 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL28572195 0.77 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL27947455 0.77 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL8146538 0.77 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL21191715 0.76 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6
SCHEMBL22024919 0.76 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1CYP1A2CYP2C19CYP2D6

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-3611164-A1 PYRIDONE COMPOUND, AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE HAVING THIS AS ACTIVE COMPONENT Mitsui Chemicals Agro, Inc. (JP) 2020-02-19 EP disclosed