SCHEMBL20775997

SCHEMBL20775997

CC(C)(C)[Si](C)(C)OCCCCn1c(CO)nc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.64
TP53 P04637 5/20 0.60
RAB9A P51151 3/20 0.60
NPC1 O15118 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
LMNA P02545 3/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL20769894 0.88 SMN1; SMN2 (0.52) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL22844182 0.83 CXCR4 (0.63) SMN1; SMN2TP53KMT2APOLBMAPT
SCHEMBL2031432 0.80 CXCR4 (0.62) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL1520593 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL4897865 0.76 LMNA (0.71) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL7746045 0.76 SMN1; SMN2 (0.64) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL21877941 0.76 LMNA (0.43) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL1520364 0.74 POLB (0.69) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL1520758 0.74 ALDH1A1 (0.76) SMN1; SMN2TP53RAB9ANPC1KMT2A
SCHEMBL1520195 0.74 POLB (0.73) SMN1; SMN2TP53RAB9ANPC1KMT2A

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
WO-2019046364-A1 INHIBITORS OF RSV REPLICATION AND APPLICATIONS THEREOF EMORY UNIVERSITY (US) 2019-03-07 WO disclosed