SCHEMBL29190058

SCHEMBL29190058

COc1cc(CNC[C@@H]2CCCO2)cc2nc(-c3c(F)ccc(-c4ccccc4)c3-c3nncn3C)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ PKM P14618 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ POLB P06746 2/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TP53 P04637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL29190061 1.00 MAPT (0.39) MAPTL3MBTL1ATMALDH1A1KDM4E
SCHEMBL29190117 1.00 MAPT (0.39) MAPTL3MBTL1ATMALDH1A1KDM4E
SCHEMBL29189956 0.90 KCNH2 (0.37) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL29189973 0.90 CD274 (0.37) L3MBTL1ALDH1A1KDM4EHPGDGAA
SCHEMBL29189886 0.90 KCNH2 (0.36) —
SCHEMBL29189979 0.89 L3MBTL1 (0.35) L3MBTL1ATMALDH1A1KDM4EKMT2A
SCHEMBL29189977 0.89 L3MBTL1 (0.35) L3MBTL1ATMALDH1A1KDM4EKMT2A
SCHEMBL29190133 0.87 VSIR (0.35) —
SCHEMBL29190137 0.87 KCNH2 (0.39) ALDH1A1KDM4EKMT2AMEN1POLB
SCHEMBL29189911 0.85 VSIR (0.38) SMN1; SMN2

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-117858865-A CBL-B modulators and uses thereof 林伯士克莱奥公司 2024-04-09 — — CN disclosed
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