SCHEMBL27273041

SCHEMBL27273041

COC(=O)c1ccc2c(c1)c(CCO)nn2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4A11 Q02928 4/20 0.46
▸ CYP4F2 P78329 3/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 3/20 0.39
▸ GLA P06280 2/20 0.39
▸ ATM Q13315 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL27273042 0.90 ALDH1A1 (0.44) KDM4EMAPTPKMALDH1A1HPGD
SCHEMBL30987632 0.90 ALDH1A1 (0.44) KDM4EMAPTPKMALDH1A1HPGD
SCHEMBL18561359 0.79 ADORA2A (0.47) NPC1KDM4EMAPTALDH1A1HPGD
SCHEMBL28472884 0.78 TLR8 (0.41) NPC1KDM4EMAPTPKMALDH1A1
SCHEMBL31173872 0.78 MAPT (0.50) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL20604896 0.78 MAPT (0.44) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL14737303 0.78 MAPT (0.50) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL30987624 0.78 MAPT (0.44) KDM4EMAPTALDH1A1HPGDGLA
SCHEMBL18561358 0.77 CYSLTR2 (0.42) NPC1KDM4EMAPTALDH1A1HPGD
SCHEMBL27273043 0.77 HCAR3 (0.51) KDM4EALDH1A1HPGDCYSLTR2CYSLTR1

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-2024133560-A1 IMIDAZO[1,2-A]PYRIDINE AND IMIDAZO[1,2-A]PYRAZINE DERIVATIVES AS MLLT1 AND MLLT3 INHIBITORS DARK BLUE THERAPEUTICS LTD (GB) 2024-06-27 — — WO disclosed
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