SCHEMBL6709692

SCHEMBL6709692

C[Si](C)(C)n1ccnc1-c1nccn1CCCN

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR8 Q9NR97 2/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.32
ARG1 P05089 1/20 0.31
MAPK13 O15264 1/20 0.30
MAPK12 P53778 1/20 0.30
MAPK11 Q15759 1/20 0.30
MAPK14 Q16539 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
SCHEMBL9255222 0.86 ALDH1A1 (0.47) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL137042 0.75 ALDH1A1 (0.69) ALDH1A1POLBKMT2ATLR8CA12
Hydrochloric Acid SCHEMBL14673192 0.74 ALDH1A1 (0.67) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL462620 0.72 ESR1 (0.60) ALDH1A1POLBKMT2ACA12CA1
SCHEMBL10005373 0.71 ALDH1A1 (0.74) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL11009084 0.70 ALDH1A1 (0.67) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL6017638 0.70 NISCH (0.38) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL6767282 0.70 TLR8 (0.67) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL12296988 0.69 ALDH1A1 (0.65) ALDH1A1POLBKMT2ATLR8CA12
SCHEMBL141000 0.69 TLR8 (0.51) ALDH1A1POLBKMT2ATLR8CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1248615-A4 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON INC (US) 2004-08-04 EP disclosed
EP-1248615-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING Alteon, Inc. (US) 2002-10-16 EP disclosed
WO-2001052847-A1 THIAZOLE, IMIDAZOLE AND OXAZOLE COMPOUNDS AND TREATMENTS OF DISORDERS ASSOCIATED WITH PROTEIN AGING ALTEON, INC. (US) 2001-07-26 WO disclosed