SCHEMBL23401644

SCHEMBL23401644

CCc1c(NC=O)c(=O)n(CC)n1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 6/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCB1 P08183 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PTGS2 P35354 1/20 0.33
POLB P06746 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
SCHEMBL23401217 0.89 FPR2 (0.39) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23402588 0.88 ALDH1A1 (0.39) FPR2ALDH1A1SMN1; SMN2HSD11B1TSHR
SCHEMBL23400672 0.87 ALDH1A1 (0.43) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23403649 0.87 KDM4E (0.36) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23400334 0.87 KMT2A (0.38) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23401151 0.84 FPR2 (0.44) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23403451 0.84 ALDH1A1 (0.44) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23402699 0.82 ALDH1A1 (0.36) FPR2ALDH1A1SMN1; SMN2HSD11B1TSHR
SCHEMBL23402932 0.81 FPR2 (0.37) FPR2ALDH1A1SMN1; SMN2TSHRGAA
SCHEMBL23398790 0.81 FPR2 (0.37) FPR2ALDH1A1SMN1; SMN2HSD11B1TSHR

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