SCHEMBL23399501

SCHEMBL23399501

CCCCn1nc(O)c(-c2ccc(C)cc2)c1C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.42
ESR1 P03372 1/20 0.38
NR1H3 Q13133 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TLR8 Q9NR97 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL23403418 0.92 ESR1 (0.39) GCGRESR1MEN1KMT2ANPC1
SCHEMBL23403384 0.88 NR1H3 (0.46) GCGRESR1NR1H3MEN1KMT2A
SCHEMBL23398497 0.86 GCGR (0.37) GCGRMEN1KMT2AHTTSMN1; SMN2
SCHEMBL23402027 0.83 NR1H3 (0.39) GCGRESR1NR1H3MEN1KMT2A
SCHEMBL23401896 0.82 GCGR (0.34) GCGRMEN1KMT2ANPC1CYP2C19
SCHEMBL23400463 0.82 NR1H3 (0.38) GCGRESR1NR1H3MEN1KMT2A
SCHEMBL23403239 0.82 GCGR (0.38) GCGRESR1NR1H3MEN1KMT2A
SCHEMBL23400592 0.81 ESR1 (0.43) GCGRESR1NR1H3MEN1KMT2A
SCHEMBL23400630 0.81 GRIA2 (0.40) GCGRESR1NR1H3MEN1KMT2A
SCHEMBL23399848 0.79 ESR1 (0.39) GCGRESR1NR1H3MEN1KMT2A

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