SCHEMBL30860948

SCHEMBL30860948

Cc1ccc(Br)c2cnn(C3CCCCO3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.44
▸ CYP4A11 Q02928 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ ATR Q13535 5/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ RET P07949 2/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ PDE9A O76083 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33
▸ PDE1C Q14123 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL27228058 1.00 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL20324247 0.85 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL30860931 0.84 ATR (0.41) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL27227802 0.84 ATR (0.41) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL31602907 0.84 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL23478362 0.84 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL29780245 0.83 ATR (0.40) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL23461124 0.83 ATR (0.40) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL27228501 0.81 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1POLBLMNA
SCHEMBL25324455 0.80 RET (0.42) 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-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 — — WO disclosed
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