SCHEMBL23399481

SCHEMBL23399481

Cc1ccc(-c2c(-c3ccccc3C)nn(-c3cccc(C)c3)c2O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.43
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
MAPT P10636 4/20 0.39
TP53 P04637 3/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 5/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
MAPK14 Q16539 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL23403642 0.94 RPA1 (0.49) RPA1IDO1TDO2MAPTTP53
SCHEMBL23399883 0.90 CCNA2 (0.44) MAPTTP53POLBLMNAALDH1A1
SCHEMBL23401161 0.89 MAPT (0.43) MAPTTP53POLBLMNAALDH1A1
SCHEMBL23401935 0.88 ALDH1A1 (0.44) RPA1IDO1TDO2MAPTTP53
SCHEMBL23401843 0.88 CA1 (0.44) MAPTTP53POLBLMNAALDH1A1
SCHEMBL23403220 0.87 RPA1 (0.49) RPA1MAPTTP53LMNAALDH1A1
SCHEMBL23401520 0.87 RPA1 (0.49) RPA1MAPTTP53LMNAALDH1A1
SCHEMBL23402246 0.86 ALDH1A1 (0.48) RPA1IDO1MAPTTP53ALDH1A1
SCHEMBL23403114 0.85 DCTPP1 (0.41) MAPTTP53POLBLMNANPSR1
SCHEMBL23398806 0.83 KMT2A (0.44) MAPTLMNANPSR1TSHRALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed