SCHEMBL29909427

SCHEMBL29909427

O=[N+]([O-])c1ccc2c(N3CCCc4ccccc43)nc3nncn3c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.49
▸ STAT3 P40763 1/20 0.49
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ ATM Q13315 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ EED O75530 1/20 0.38
▸ HTT P42858 4/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL23578286 1.00 KMT2A (0.49) KMT2ASTAT3HRH4HRH3ATM
SCHEMBL29909921 0.84 STAT3 (0.54) KMT2ASTAT3MAPTSMN1; SMN2HTT
SCHEMBL23576676 0.84 STAT3 (0.54) KMT2ASTAT3MAPTSMN1; SMN2HTT
SCHEMBL23601737 0.83 KMT2A (0.53) KMT2ASTAT3MAPTSMN1; SMN2MEN1
SCHEMBL29909671 0.83 KMT2A (0.53) KMT2ASTAT3MAPTSMN1; SMN2MEN1
SCHEMBL23576857 0.82 KMT2A (0.51) KMT2ASTAT3MAPTSMN1; SMN2HTT
SCHEMBL29909597 0.82 KMT2A (0.51) KMT2ASTAT3MAPTSMN1; SMN2HTT
SCHEMBL30979080 0.82 KMT2A (0.63) KMT2ASTAT3MAPTSMN1; SMN2MEN1
SCHEMBL23601720 0.82 KMT2A (0.63) KMT2ASTAT3MAPTSMN1; SMN2MEN1
SCHEMBL23601270 0.80 STAT3 (0.51) KMT2ASTAT3MAPTSMN1; SMN2NPC1

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-118324767-A Diacylglycerol kinase modulating compounds 卡尔那生物科学株式会社 2024-07-12 — — CN disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 — — EP disclosed
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