SCHEMBL7016871

SCHEMBL7016871

CC(OCn1cnc2ccc(N)cc21)[Si](C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HSD17B10 Q99714 1/20 0.41
QPCT Q16769 5/20 0.35
LCK P06239 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TNF P01375 2/20 0.34
QPCTL Q9NXS2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
IKZF3 Q9UKT9 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
BRD4 O60885 1/20 0.32
APAF1 O14727 1/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL7019257 0.89 MAPT (0.55) MAPTHSD17B10QPCTLCKPOLB
SCHEMBL7018562 0.85 POLB (0.36) MAPTQPCTPOLBQPCTLSMN1; SMN2
SCHEMBL7475809 0.80 TDP1 (0.53) MAPTTNFSMN1; SMN2CYP11B1CYP11B2
SCHEMBL19848670 0.80 MAPT (0.47) MAPTHSD17B10QPCTTNFQPCTL
SCHEMBL7017087 0.80 AAK1 (0.40) QPCTBRD4
SCHEMBL2541710 0.79 POLB (0.37) POLBBRD4
SCHEMBL7022413 0.79 FGFR1 (0.46) MAPTPOLBALDH1A1SMN1; SMN2FGFR1
SCHEMBL7018800 0.78 MAPT (0.35) MAPTHSD17B10POLBKDM4ETNF
SCHEMBL7030876 0.77 POLB (0.59) MAPTHSD17B10LCKPOLBKDM4E
SCHEMBL2321351 0.76 POLB (0.37) POLBBRD4

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-1206265-B1 SRC KINASE INHIBITOR COMPOUNDS MERCK & CO INC (US) 2003-11-12 EP disclosed
US-6498165-B1 PYRIMIDINE COMPOUNDS; PROPHYLAXIS AND TREATMENT OF SUCH AS IMMUNE DISEASES, HYPERPROLIFERATIVE DISORDERS, CANCER, ANGIOGENSIS, ATHEROSCELEROSIS, GRAFT REJECTION, RHEUMATOID ARTHRITIS, PSORIASIS MERCK & CO., INC. 2002-12-24 US disclosed