SCHEMBL21277516

SCHEMBL21277516

O=c1[nH]c(=O)n(C2CCC(CCO)O2)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
PYGM P11217 1/20 0.48
TK1 P04183 4/20 0.43
LMNA P02545 3/20 0.42
TSHR P16473 2/20 0.42
ALB P02768 1/20 0.42
PKM P14618 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL10380346 0.90 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL24695865 0.90 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL2035541 0.90 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL24371230 0.86 TK1 (0.56) ALDH1A1POLBTK1LMNATSHR
Phosphoric Acid SCHEMBL3691397 0.85 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1POLBKMT2APYGM
SCHEMBL21277455 0.81 TK1 (0.42) TK1LMNATSHRALBPKM
SCHEMBL21277407 0.81 TK1 (0.42) TK1LMNATSHRALBPKM
SCHEMBL21277491 0.81 LMNA (0.58) SMN1; SMN2TK1LMNATSHRALB
SCHEMBL21277425 0.81 TK1 (0.42) TK1LMNATSHRALBPKM
SCHEMBL3972864 0.81 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1POLBKMT2APYGM

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-2931319-B1 MODIFIED NUCLEIC ACID MOLECULES AND USES THEREOF MODERNATX INC (US) 2019-08-21 EP disclosed