SCHEMBL29705447

SCHEMBL29705447

Brc1cnc2c(cnn2C2CCCCO2)c1I

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP4F2 P78329 4/20 0.37
▸ CYP4A11 Q02928 4/20 0.37
▸ RET P07949 1/20 0.36
▸ PDE9A O76083 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ YTHDC1 Q96MU7 1/20 0.33
▸ FLT3 P36888 2/20 0.32
▸ ATR Q13535 3/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 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
SCHEMBL27215227 1.00 ALDH1A1 (0.39) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29705440 0.85 ALDH1A1 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL27215114 0.85 CYP4F2 (0.41) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL26720570 0.85 CYP4F2 (0.44) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL27215222 0.85 ALDH1A1 (0.45) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL19464241 0.85 LMNA (0.39) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29705330 0.85 CYP4F2 (0.41) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29705852 0.85 LMNA (0.39) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29705287 0.81 ALDH1A1 (0.37) ALDH1A1POLBLMNACYP4F2CYP4A11
SCHEMBL29705486 0.81 CYP4F2 (0.37) ALDH1A1POLBLMNACYP4F2CYP4A11

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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