SCHEMBL21901461

SCHEMBL21901461

CCc1ccc(/C(N)=N/N=C(/C)N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
PLAU P00749 1/20 0.46
ALDH1A1 P00352 1/20 0.44
IDO1 P14902 2/20 0.40
PLK1 P53350 1/20 0.40
NQO2 P16083 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
NOS3 P29474 4/20 0.37
NOS1 P29475 4/20 0.37
NOS2 P35228 3/20 0.37

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
SCHEMBL23734498 0.85 NOS1 (0.55) SMN1; SMN2ALDH1A1NOS3NOS1NOS2
SCHEMBL22044492 0.85 NOS1 (0.53) SMN1; SMN2GRIN2BNOS3NOS1NOS2
SCHEMBL20851153 0.80 CA2 (0.48) SMN1; SMN2MAPT
SCHEMBL22043770 0.78 CYP2D6 (0.50) SMN1; SMN2PLAUALDH1A1GRIN2DGRIN3B
SCHEMBL22043774 0.78 NOS3 (0.48) SMN1; SMN2ALDH1A1NOS3NOS1NOS2
SCHEMBL16489291 0.78 SMN1; SMN2 (0.57) SMN1; SMN2PLAUALDH1A1IDO1PLK1
SCHEMBL17735999 0.78 SMN1; SMN2 (0.57) SMN1; SMN2PLAUALDH1A1IDO1PLK1
SCHEMBL20713868 0.78 SMN1; SMN2 (0.57) SMN1; SMN2PLAUALDH1A1IDO1PLK1
SCHEMBL14291952 0.78 SMN1; SMN2 (0.57) SMN1; SMN2PLAUALDH1A1IDO1PLK1
SCHEMBL22044462 0.76 NOS1 (0.52) SMN1; SMN2PLAUGRIN2DGRIN3BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4169944-A1 PROCESS FOR PREPARING HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE Biomolecular Holdings LLC (US) 2023-04-26 EP disclosed
EP-3701971-B1 COMPOUNDS USEFUL IN PREPARING HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE BIOMOLECULAR HOLDINGS LLC (US) 2022-07-06 EP disclosed
EP-3701971-A1 COMPOUNDS USEFUL IN PREPARING HYBRID IMMUNOGLOBULIN CONTAINING NON-PEPTIDYL LINKAGE Capon, Daniel J. (US) 2020-09-02 EP disclosed
WO-2020081744-A1 IMMUNOMODULATING POLYNUCLEOTIDE CONJUGATES AND METHODS OF USE TOLLNINE, INC. (US) 2020-04-23 WO disclosed