SCHEMBL23402137

SCHEMBL23402137

CC(C)Cn1nc(-c2ccccc2)c(C(C)(C)C)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.37
FYN P06241 1/20 0.36
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
TRPV1 Q8NER1 3/20 0.35
CNR1 P21554 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RECQL P46063 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
TNNI3 P19429 1/20 0.34

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
SCHEMBL23399212 0.87 KDM4E (0.36) FYNKDM4EALDH1A1KMT2AMEN1
SCHEMBL23401020 0.85 RIPK2 (0.39) CNR2SLC16A3SLC16A1CNR1KDM4E
SCHEMBL23398670 0.84 KMT2A (0.46) KDM4EALDH1A1L3MBTL1HSD17B10ALOX15
SCHEMBL23402129 0.82 ATM (0.34) KDM4EALDH1A1L3MBTL1ALOX15SMN1; SMN2
SCHEMBL23403601 0.81 MEN1 (0.48) KDM4EL3MBTL1HSD17B10RECQLKMT2A
SCHEMBL23402853 0.81 SMN1; SMN2 (0.41) CNR2FYNTRPV1CNR1PSMB1
SCHEMBL23401352 0.81 CNR2 (0.40) CNR2FYNTRPV1CNR1KDM4E
SCHEMBL23403673 0.80 CNR2 (0.37) CNR2FYNSLC16A3SLC16A1TRPV1
SCHEMBL23398823 0.79 RECQL (0.42) CNR2FYNTRPV1CNR1KDM4E
SCHEMBL23399612 0.79 ESR1 (0.46) KDM4EL3MBTL1RECQLKMT2ASMN1; SMN2

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