SCHEMBL9502121

SCHEMBL9502121

CCCCC(Cc1ccc(C(C)(C)C)cc1)C(O)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
REN P00797 2/20 0.37
NAMPT P43490 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9502152 0.87 SMN1; SMN2 (0.39) LMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL9485916 0.86 POLB (0.41) LMNAL3MBTL1SMN1; SMN2
SCHEMBL9485964 0.76 CNR1 (0.37) MAPTHTTSMN1; SMN2
SCHEMBL28994745 0.75 LMNA (0.47) LMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL20779411 0.75 L3MBTL1 (0.43) LMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL26042044 0.74 KIF11 (0.49) KIF11LMNAALDH1A1MAPTHTT
SCHEMBL14078043 0.74 SMN1; SMN2 (0.50) LMNAL3MBTL1NPC1SMN1; SMN2
SCHEMBL9487014 0.72 ADRB3 (0.40) LMNAALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL9629718 0.72 L3MBTL1 (0.51) LMNAL3MBTL1SMN1; SMN2
SCHEMBL9630561 0.71 SMN1; SMN2 (0.51) LMNAL3MBTL1NPC1SMN1; 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
EP-0311907-B1 3-SUBSTITUTED PYRIDINES AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1993-07-21 EP claimed