SCHEMBL23399720

SCHEMBL23399720

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
TLR8 Q9NR97 1/20 0.39
NR1H3 Q13133 1/20 0.38
TP53 P04637 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL23400949 0.95 MEN1 (0.48) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23403094 0.95 MEN1 (0.48) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399168 0.91 ESR1 (0.47) ESR1MEN1KMT2AMAPTTP53
SCHEMBL23402459 0.88 ESR1 (0.42) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23398552 0.87 ESR1 (0.46) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23399446 0.87 MEN1 (0.53) ESR1MEN1KMT2AMAPTCYP1A2
SCHEMBL23402444 0.87 TLR8 (0.40) ESR1MEN1KMT2ACYP1A2TLR8
SCHEMBL23400518 0.86 ESR1 (0.49) ESR1MEN1KMT2AMAPTTP53
SCHEMBL23401922 0.86 ESR1 (0.49) ESR1MEN1KMT2AMAPTTP53
SCHEMBL23401160 0.84 RAB9A (0.40) ESR1MEN1KMT2AMAPTALDH1A1

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