SCHEMBL28514074

SCHEMBL28514074

O=S(=O)(O)c1ccc(Cn2nnc3ccccc32)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 8/20 0.65
▸ SLC9A1 P19634 3/20 0.65
▸ TDP1 Q9NUW8 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ KCNMA1 Q12791 1/20 0.51
▸ HCAR3 P49019 1/20 0.49
▸ EGLN3 Q9H6Z9 1/20 0.48
▸ PTK2 Q05397 1/20 0.47

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
SCHEMBL16398499 0.80 GRM2 (0.75) GRM2SLC9A1TDP1KDM4ELMNA
SCHEMBL2734889 0.80 GRM2 (1.00) GRM2SLC9A1TDP1KDM4EKCNMA1
SCHEMBL22000732 0.77 GRM2 (0.75) GRM2SLC9A1TDP1LMNAKCNMA1
SCHEMBL28345673 0.77 GRM2 (0.75) GRM2SLC9A1TDP1KDM4EKCNMA1
SCHEMBL7597659 0.77 GRM2 (0.75) GRM2SLC9A1TDP1KDM4EPTK2
SCHEMBL16104116 0.77 PTK2 (0.73) GRM2SLC9A1TDP1PTK2
SCHEMBL2800642 0.77 SLC9A1 (0.58) GRM2SLC9A1KDM4EKCNMA1EGLN3
SCHEMBL14376781 0.75 GRM2 (0.61) GRM2SLC9A1TDP1KDM4ELMNA
SCHEMBL22058723 0.74 GRM2 (0.65) GRM2SLC9A1TDP1KDM4ELMNA
SCHEMBL3460030 0.74 EGLN3 (0.62) GRM2SLC9A1KDM4ELMNAKCNMA1

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
CN-108026092-B Guanidine-substituted imidazo [4,5-c ] ring compounds 3M创新有限公司 2021-01-26 — — CN disclosed
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