SCHEMBL23399199

SCHEMBL23399199

CCCn1[nH]c(-c2ccccc2C)cc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 5/20 0.43
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
TP53 P04637 3/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 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
SCHEMBL23403171 0.91 MEN1 (0.68) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23399375 0.88 MEN1 (0.47) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23400351 0.81 KMT2A (0.45) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23401315 0.80 MEN1 (0.82) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL17290637 0.79 RAB9A (0.49) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23403235 0.75 MEN1 (0.61) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23401742 0.75 MEN1 (0.61) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23399112 0.74 KDM4E (0.42) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23399372 0.72 RAB9A (0.46) MEN1KMT2ARAB9ANPC1KDM4E
SCHEMBL23399638 0.72 MAPT (0.51) MEN1KMT2ARAB9ANPC1KDM4E

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