SCHEMBL23782005

SCHEMBL23782005

CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1.[H+]

nearest known ligand 0.97

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.97
KMT2A Q03164 12/20 0.97
MAPT P10636 12/20 0.97
KDM4E B2RXH2 10/20 0.97
ALDH1A1 P00352 9/20 0.97
HPGD P15428 5/20 0.97
NPSR1 Q6W5P4 4/20 0.97
CYP19A1 P11511 3/20 0.68
ATM Q13315 6/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
USP2 O75604 4/20 0.60
HSD17B10 Q99714 4/20 0.60
MAOB P27338 3/20 0.60
ALOX15 P16050 2/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
SLC16A3 O15427 1/20 0.60
SLC16A1 P53985 1/20 0.60
L3MBTL1 Q9Y468 4/20 0.58
GLA P06280 1/20 0.58

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
SCHEMBL61603 0.99 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL30195208 0.99 MEN1 (1.00) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL61629 0.89 MEN1 (0.81) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28731038 0.88 MEN1 (0.82) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL29275428 0.88 MEN1 (0.80) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL11583737 0.88 MEN1 (0.80) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL28642464 0.86 MEN1 (0.78) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL12893272 0.86 MEN1 (0.78) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18154604 0.86 MEN1 (0.77) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18154601 0.86 MEN1 (0.77) MEN1KMT2AMAPTKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021176428-A1 PHENANTHROLINE, CARBAZOLE AND FLAVYLIUM BASED CYANINES AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2021-09-10 WO claimed
WO-2021176428-A1 PHENANTHROLINE, CARBAZOLE AND FLAVYLIUM BASED CYANINES AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH (IN) 2021-09-10 WO disclosed