SCHEMBL23399248

SCHEMBL23399248

Cc1cccc(-n2nc(CC(C)C)c(O)c2-c2ccccc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
RPA1 P27694 1/20 0.39
ALDH1A1 P00352 2/20 0.37
NPSR1 Q6W5P4 3/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL23403096 0.89 HIF1A (0.42) LMNAALDH1A1HPGDGAAHSD17B10
SCHEMBL23401856 0.88 HIF1A (0.39) MAPTLMNAALDH1A1NPSR1TP53
SCHEMBL23402593 0.87 RPA1 (0.45) IDO1TDO2MAPTLMNARPA1
SCHEMBL23399444 0.86 PDE4A (0.42) IDO1TDO2MAPTLMNARPA1
SCHEMBL23403644 0.85 ALDH1A1 (0.44) IDO1TDO2MAPTLMNARPA1
SCHEMBL23400691 0.85 IDO1 (0.41) IDO1TDO2MAPTLMNARPA1
SCHEMBL23403056 0.84 ALDH1A1 (0.38) IDO1TDO2MAPTLMNARPA1
SCHEMBL23403015 0.84 MAPT (0.40) IDO1TDO2MAPTLMNARPA1
SCHEMBL23400927 0.83 KDM4E (0.38) MAPTLMNAALDH1A1TP53L3MBTL1
SCHEMBL23398751 0.82 ALDH1A1 (0.42) IDO1TDO2MAPTLMNARPA1

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