SCHEMBL29705330

SCHEMBL29705330

Cc1c(Br)cnc2c1cnn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 4/20 0.41
▸ CYP4A11 Q02928 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RET P07949 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ YTHDC1 Q96MU7 1/20 0.35
▸ ATR Q13535 5/20 0.35
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PDE9A O76083 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM5B Q9UGL1 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
SCHEMBL27215114 1.00 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL27215222 0.85 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL25795307 0.85 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL29705447 0.85 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL29705440 0.85 ALDH1A1 (0.45) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL27215255 0.85 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL27215227 0.85 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL29705486 0.84 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL27215179 0.84 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL29705287 0.81 ALDH1A1 (0.37) CYP4F2CYP4A11ALDH1A1POLBLMNA

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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