SCHEMBL28386019

SCHEMBL28386019

Cc1cn(C(N)=O)nc1C.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PKM P14618 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
KAT2B Q92831 1/20 0.33
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
NNMT P40261 2/20 0.31
NOS1 P29475 2/20 0.31

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
SCHEMBL1559563 0.98 LMNA (0.33) LMNAKDM4EADORA3PKMADORA2A
Hydrochloric Acid SCHEMBL20473874 0.96 LMNA (0.33) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL24708463 0.79 LMNA (0.33) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL12126347 0.78 IKBKB (0.34)
SCHEMBL5287479 0.77 POLB (0.33) LMNA
Hydrochloric Acid SCHEMBL11562510 0.77 L3MBTL1 (0.33) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL17000560 0.76 L3MBTL1 (0.30) LMNAKDM4E
SCHEMBL22083545 0.75 POLB (0.35) LMNAKDM4EPKM
SCHEMBL20988688 0.75 ALDH1A1 (0.31) LMNAKDM4EADORA3PKMADORA2A
SCHEMBL12126191 0.73 TSHR (0.39) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111315733-A Novel sulfonamide carboxamide compounds 英夫拉索姆有限公司 2020-06-19 CN disclosed
CN-111093773-A Sulfonylureas and sulfonylthioureas as NLRP3 inhibitors 英夫拉索姆有限公司 2020-05-01 CN disclosed