SCHEMBL29705288

SCHEMBL29705288

N#Cc1c(O)cnc2c1cnn2C1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.39
▸ CYP4A11 Q02928 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ATR Q13535 3/20 0.36
▸ ELANE P08246 7/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ RET P07949 1/20 0.33
▸ PDE9A O76083 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ YTHDC1 Q96MU7 1/20 0.31
▸ CYP2C19 P33261 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
SCHEMBL27215086 1.00 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL29705287 0.86 ALDH1A1 (0.37) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL27215224 0.86 ALDH1A1 (0.37) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL27215255 0.81 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL27215275 0.79 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL29705349 0.79 CYP4F2 (0.33) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL27215266 0.79 CYP4F2 (0.33) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL22440514 0.75 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30897247 0.75 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAPOLB
SCHEMBL30897220 0.74 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1LMNAPOLB

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-2022159745-A1 GCN2 MODULATING COMPOUNDS AND USES THEREOF HIBERCELL, INC. (US) 2022-07-28 — — WO disclosed
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