SCHEMBL23398552

SCHEMBL23398552

CCCCn1nc(-c2ccc(C)cc2)c(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
TLR8 Q9NR97 1/20 0.40
NR1H3 Q13133 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL23399287 0.91 ESR1 (0.48) ESR1MEN1KMT2AMAPTTP53
SCHEMBL23401883 0.88 MEN1 (0.53) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399720 0.87 ESR1 (0.45) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399606 0.85 ESR1 (0.44) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399445 0.85 ESR1 (0.44) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23400814 0.84 ESR1 (0.43) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23401988 0.84 RAB9A (0.41) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399717 0.83 TLR8 (0.44) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23401581 0.83 ESR1 (0.43) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23402149 0.82 ESR1 (0.46) ESR1MEN1KMT2AMAPTCYP1A2

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