SCHEMBL8220041

SCHEMBL8220041

C=C(/N=C(\NCc1cnccn1)c1cccs1)c1ccc(-n2ccc3cccnc32)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 1/20 0.35
SLC22A12 Q96S37 2/20 0.32
PYGM P11217 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL4878389 0.74 SLC22A12 (0.43) SLC22A12NPC1RAB9A
SCHEMBL4858244 0.66 SLC22A12 (0.41) SLC22A12NPC1RAB9ASMN1; SMN2
SCHEMBL4858249 0.66 SLC22A12 (0.41) SLC22A12NPC1RAB9ASMN1; SMN2
SCHEMBL28441844 0.66 SLC22A12 (0.53) SLC22A12NPC1RAB9A
SCHEMBL4809049 0.65 ALOX15 (0.52) SLC22A12NPC1RAB9ASMN1; SMN2
SCHEMBL4872929 0.64 DCTPP1 (0.35) NPC1RAB9A
SCHEMBL4873110 0.62 SLC22A12 (0.41) SLC22A12
SCHEMBL4873114 0.62 SLC22A12 (0.41) SLC22A12
SCHEMBL14194769 0.61 MAPK14 (0.42) SMN1; SMN2
SCHEMBL4876533 0.61 MAPT (0.33)

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-2008004117-A1 SELECTIVE AZOLE PDE10A INHIBITOR COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-01-10 WO disclosed