SCHEMBL9006262

SCHEMBL9006262

C=CCc1[nH]nc2nc3ccccc3cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.55
GAA P10253 6/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.38
POLB P06746 4/20 0.38
NR4A1 P22736 1/20 0.38
TLR8 Q9NR97 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
GLA P06280 2/20 0.36
ACHE P22303 1/20 0.36
RAB9A P51151 5/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PTK2B Q14289 1/20 0.36
CDK1 P06493 3/20 0.35
CDK2 P24941 3/20 0.35
GSK3B P49841 3/20 0.35
CDK5 Q00535 3/20 0.35

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
SCHEMBL9006267 0.73 MAP4K4 (0.46) KMT2AGAAMAPTMEN1POLB
SCHEMBL11668218 0.70 ALDH1A1 (0.45) KMT2AGAAMAPTMEN1POLB
SCHEMBL9686737 0.70 GAA (0.63) KMT2AGAAMAPTMEN1POLB
SCHEMBL988218 0.69 KMT2A (0.50) KMT2AGAAMAPTMEN1POLB
SCHEMBL28237515 0.67 KMT2A (0.42) KMT2AGAAMAPTMEN1TLR8
SCHEMBL8523726 0.66 KDM4E (0.42) KMT2AGAAMAPTMEN1TLR8
SCHEMBL29034746 0.66 ALDH1A1 (0.42) KMT2AGAAMAPTMEN1POLB
SCHEMBL8672800 0.65 TLR8 (0.49) KMT2AGAAMAPTMEN1TLR8
SCHEMBL8213737 0.65 TLR8 (0.49) KMT2AGAAMAPTMEN1TLR8
SCHEMBL6904196 0.65 ALDH1A1 (0.40) KMT2AGAAMAPTMEN1POLB

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
US-5506236-A TREATING HERPES VIRUS INFECTIONS SCHERING CORPORATION 1996-04-09 US disclosed