SCHEMBL13759331

SCHEMBL13759331

CCCNc1cc(N/N=C/c2cccc(C)c2)cc(OCCc2ccc(OC)c(OC)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
GAA P10253 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 8/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
ALDH1A1 P00352 4/20 0.40
USP2 O75604 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HTT P42858 2/20 0.38
PTGDR Q13258 1/20 0.38
APP P05067 2/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL13759333 0.86 FES (0.38) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13759330 0.80 FES (0.39) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL424028 0.79 PIKFYVE (0.54) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL424029 0.79 PIKFYVE (0.54) NPC1RAB9AGAAKDM4EMAPT
SCHEMBL428183 0.77 MAPT (0.40) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL428182 0.77 MAPT (0.40) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL13759267 0.77 KDM4E (0.46) KDM4EMAPTKMT2AALDH1A1SIGMAR1
SCHEMBL5801587 0.76 MAPT (0.39) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL5801589 0.76 MAPT (0.39) NPC1RAB9ASMN1; SMN2GAAKDM4E
SCHEMBL425850 0.76 PIKFYVE (0.54) NPC1RAB9ASMN1; SMN2GAAKDM4E

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
WO-2009100406-A2 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORP. (US) 2009-08-13 WO disclosed