SCHEMBL11036299

SCHEMBL11036299

COc1cc(NCc2ccc(F)cc2)c(N)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
EGFR P00533 1/20 0.43
BCHE P06276 3/20 0.42
ACHE P22303 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GPR35 Q9HC97 1/20 0.42
NPC1 O15118 1/20 0.41
CISD1 Q9NZ45 1/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL6816299 0.86 MAPT (0.51) MAPTSMN1; SMN2GAAKDM4EEGFR
SCHEMBL10548891 0.79 MAPT (0.51) MAPTSMN1; SMN2GAAMEN1KMT2A
SCHEMBL11016390 0.76 MEN1 (0.56) MAPTGAAKCNQ3KCNQ2KCNQ4
SCHEMBL10549941 0.76 MAPT (0.51) MAPTSMN1; SMN2GAAKDM4EMEN1
SCHEMBL25296914 0.74 MAPT (0.49) MAPTSMN1; SMN2GAAKDM4EMEN1
SCHEMBL5650722 0.74 MAPT (0.58) MAPTSMN1; SMN2GAAKDM4EBCHE
SCHEMBL11037141 0.74 L3MBTL1 (0.47) MAPTSMN1; SMN2GAAKDM4EKCNQ3
SCHEMBL11569274 0.74 ALDH1A1 (0.49) MAPTSMN1; SMN2GAAKCNQ3KCNQ2
SCHEMBL11268602 0.74 OXTR (0.49) MAPTSMN1; SMN2GAAKCNQ3KCNQ2
SCHEMBL9683331 0.73 MAP2K4 (0.52) MAPTGAAKCNQ3KCNQ2KCNQ4

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-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed