SCHEMBL9256865

SCHEMBL9256865

CCCCNC(=N)c1ccc(-c2ccc(-n3cnc(CCC(=O)OC)c3)nn2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.32
CXCR2 P25025 6/20 0.32
GCG P01275 1/20 0.32
NPC1 O15118 1/20 0.32
TLR8 Q9NR97 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDK1 Q15118 1/20 0.32
NAMPT P43490 1/20 0.32
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL9246913 0.91 GCG (0.38) SMN1; SMN2MGLLCXCR2GCGNPC1
SCHEMBL9255212 0.88 PDK1 (0.33) MAPTSMN1; SMN2NPC1HSD17B10PDK1
SCHEMBL9259482 0.87 PDK1 (0.33) MAPTSMN1; SMN2NPC1HSD17B10PDK1
SCHEMBL8863938 0.85 TMPRSS15 (0.36) MAPTSMN1; SMN2NPC1TLR8PDK1
SCHEMBL9251525 0.82 MIF (0.37) NPC1TLR8PDK1
SCHEMBL9250749 0.81 ALOX5 (0.30) PDK1
SCHEMBL9255067 0.81 PDK1 (0.33) MAPTSMN1; SMN2NPC1HSD17B10PDK1
SCHEMBL9257803 0.80 MAPT (0.35) MAPT
SCHEMBL8863936 0.79 CYP11B1 (0.43) MAPTCXCR2NPC1PDK1LMNA
SCHEMBL9251800 0.79 PDK1 (0.36) MAPTSMN1; SMN2GCGNPC1PDK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed