SCHEMBL23398809

SCHEMBL23398809

CCCCc1nn(CCCC)c(-c2ccccc2C)c1O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.39
SLC9A1 P19634 1/20 0.38
MPO P05164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TLR8 Q9NR97 1/20 0.37
AGTR1 P30556 1/20 0.36
AGTR2 P50052 1/20 0.36
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL23399330 0.96 NR1H3 (0.38) NR1H3SLC9A1MPOKDM4EALDH1A1
SCHEMBL23403656 0.95 TLR8 (0.37) NR1H3SLC9A1KDM4EALDH1A1LMNA
SCHEMBL23402546 0.92 MPO (0.41) NR1H3SLC9A1MPOTLR8MEN1
SCHEMBL23400169 0.92 SMN1; SMN2 (0.35) TLR8AGTR1AGTR2SMN1; SMN2
SCHEMBL23399297 0.88 ESR1 (0.38) SLC9A1ALDH1A1TLR8MEN1MAPT
SCHEMBL23400280 0.88 TLR8 (0.38) KDM4EALDH1A1LMNAHPGDTLR8
SCHEMBL23403458 0.87 LMNA (0.34) KDM4EALDH1A1LMNAHPGDTLR8
SCHEMBL23402359 0.87 SMN1; SMN2 (0.36) NR1H3SLC9A1MPOTLR8MEN1
SCHEMBL23400324 0.86 NR1H3 (0.40) NR1H3SLC9A1MPOTLR8MEN1
SCHEMBL23399801 0.83 NR1H3 (0.49) NR1H3SLC9A1MPOALDH1A1MEN1

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