SCHEMBL29030222

SCHEMBL29030222

c1ccc(-c2ncnc(-c3ccc[nH]3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGDS O60760 5/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ MTOR P42345 1/20 0.36
▸ ADK P55263 1/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ ADORA3 P0DMS8 2/20 0.36
▸ ADORA1 P30542 2/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ NR1H2 P55055 1/20 0.35
▸ NR1H3 Q13133 1/20 0.35
▸ KDR P35968 1/20 0.35

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
SCHEMBL56387 0.80 L3MBTL1 (0.54) ADORA2AL3MBTL1ADORA3ADORA1NPC1
Ammonia Solution, Strong SCHEMBL28360184 0.78 L3MBTL1 (0.52) ADORA2AL3MBTL1ADORA3ADORA1NPC1
SCHEMBL16922581 0.76 NPC1 (0.52) ADORA2AL3MBTL1ADORA3ADORA1NPC1
SCHEMBL30375151 0.76 NPC1 (0.52) ADORA2AL3MBTL1ADORA3ADORA1NPC1
SCHEMBL23008279 0.76 NPC1 (0.52) ADORA2AL3MBTL1ADORA3ADORA1NPC1
SCHEMBL23008430 0.76 NPC1 (0.52) ADORA2AL3MBTL1ADORA3ADORA1NPC1
SCHEMBL13719392 0.76 NPC1 (0.52) ADORA2AL3MBTL1ADORA3ADORA1NPC1
SCHEMBL18905390 0.75 NOTUM (0.58) ADORA2AL3MBTL1HPGDSADORA1NPC1
SCHEMBL2804255 0.72 KDM4C (0.40) KDM4CKDRABCB1ABCG2
SCHEMBL28491899 0.72 L3MBTL1 (0.46) ADORA2AL3MBTL1ADORA3ADORA1NPC1

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-114656654-B Modified lignin self-repairing conductive hydrogel and preparation method and application thereof 江苏理工学院 2023-07-11 — — CN disclosed
Send feedback