SCHEMBL31128947

SCHEMBL31128947

CCn1cc(OB(O)O)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 4/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GFER P55789 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ FLT4 P35916 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ HPGD P15428 3/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ PKM P14618 1/20 0.31
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL29267533 0.92 GAA (0.32) KMT2AGAA
SCHEMBL29217173 0.80 FFAR1 (0.46) LRRK2PDK2
SCHEMBL29217192 0.78 ABL1 (0.36) FLT3L3MBTL1
SCHEMBL31128903 0.77 ABL1 (0.34) —
SCHEMBL25020948 0.76 — —
SCHEMBL31128801 0.75 ABL1 (0.36) KMT2ALMNACYP2C19ALDH1A1L3MBTL1
SCHEMBL29198527 0.75 DGAT1 (0.34) —
SCHEMBL3491600 0.75 KDM4C (0.33) KMT2ALRRK2ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL31128872 0.74 CHRNB2 (0.33) CYP2C19KDM4EALDH1A1FLT3L3MBTL1
SCHEMBL5696305 0.73 L3MBTL1 (0.41) KMT2AGAALMNAMAPTCYP2C19

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
WO-2024208315-A1 AROMATIC HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-10-10 — — WO disclosed
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