SCHEMBL2733972

SCHEMBL2733972

CCCCCc1c(C)n[nH]c1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MAPT P10636 3/20 0.38
TYMP P19971 3/20 0.37
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL13516628 0.88 MAPK1 (0.37) MAPTMAPK1LMNAGAASMN1; SMN2
SCHEMBL17500332 0.82 MAPT (0.41) TLR8TLR7MAPTTYMPMAPK1
SCHEMBL21145592 0.79 MAPK1 (0.55) MAPTMAPK1LMNAGAASMN1; SMN2
SCHEMBL10697030 0.78 MAPT (0.35) TLR8TLR7MAPTTYMPMAPK1
SCHEMBL9049048 0.78 KDM4E (0.36) MAPK1LMNASMN1; SMN2TSHRMEN1
SCHEMBL11438926 0.78 HSD17B10 (0.54) MAPTMAPK1LMNAGAASMN1; SMN2
SCHEMBL10180518 0.78 HSD17B10 (0.54) MAPTMAPK1LMNAGAASMN1; SMN2
Hydrochloric Acid SCHEMBL6559450 0.78 KDM4E (0.40) MAPTMAPK1LMNASMN1; SMN2MEN1
SCHEMBL11440996 0.78 HSD17B10 (0.54) MAPTMAPK1LMNAGAASMN1; SMN2
SCHEMBL11437970 0.78 HSD17B10 (0.54) MAPTMAPK1LMNAGAASMN1; SMN2

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
EP-2629776-A2 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION Cerenis Therapeutics Holding SA (FR) 2013-08-28 EP disclosed
WO-2012054535-A2 COMPOUNDS, COMPOSITIONS AND METHODS USEFUL FOR CHOLESTEROL MOBILISATION CERENIS THERAPEUTICS SA (FR) 2012-04-26 WO disclosed