SCHEMBL19547652

SCHEMBL19547652

C=Cn1ccnc1-c1ncccn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HCRTR1 O43613 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL27551098 0.77 NPC1 (0.46) LMNATDP1GAASMN1; SMN2HCRTR1
SCHEMBL2866599 0.76 GAA (0.51) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL198066 0.75 SMN1; SMN2 (0.42) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL36575 0.71
SCHEMBL29842244 0.71 LMNA (0.46) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL27816158 0.71 LMNA (0.46) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL11367102 0.70 CYP1A1 (0.46) LMNATDP1GAASMN1; SMN2MAPK1
Hydrochloric Acid SCHEMBL1007846 0.70
SCHEMBL5476182 0.69 LMNA (0.41) LMNATDP1GAASMN1; SMN2CYP3A4
SCHEMBL28219132 0.69 HTR2C (0.45) LMNATDP1GAASMN1; SMN2MAPK1

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
EP-3074387-B1 IMIDAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-11-08 EP disclosed