SCHEMBL30103450

SCHEMBL30103450

COc1cc(C(=N)O)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2C19 P33261 2/20 0.38
NNMT P40261 1/20 0.36
KMO O15229 3/20 0.34
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SIRT6 Q8N6T7 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
SCHEMBL28553908 0.82 CYP2C19 (0.37) LMNATDP1CYP2C19NNMTKMO
SCHEMBL24145048 0.82 NNMT (0.39) LMNATDP1CYP2C19NNMTKDM4E
Hydrochloric Acid SCHEMBL22042737 0.81 NNMT (0.38) LMNATDP1CYP2C19NNMTKDM4E
SCHEMBL9190690 0.80 LMNA (0.55) LMNATDP1NNMTKMOKDM4E
SCHEMBL22121995 0.76 CYP2C19 (0.38) LMNATDP1CYP2C19NNMTKMO
SCHEMBL20869196 0.76 LMNA (0.42) LMNATDP1CYP2C19NNMTKMO
SCHEMBL1478401 0.75 CYP2C19 (0.48) LMNACYP2C19NNMTKDM4EALDH1A1
SCHEMBL20561605 0.74 NNMT (0.39) LMNATDP1CYP2C19NNMTKMO
SCHEMBL13726677 0.74 SIRT6 (0.55) LMNATDP1CYP2C19NNMTKMO
SCHEMBL3716193 0.74 ALDH1A1 (0.48) LMNATDP1CYP2C19NNMTKDM4E

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-4097138-A1 ASGPR-BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS Avila Therapeutics, Inc. (US) 2022-12-07 EP disclosed