SCHEMBL27368716

SCHEMBL27368716

COC(=O)CCc1cccc(-n2nc3ccccc3n2)c1O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 3/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
IAPP P10997 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NOTUM Q6P988 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL27738652 0.83 POLB (0.43) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL14607653 0.82 KDM4E (0.44) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL21310184 0.81 KDM4E (0.44) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL25021957 0.81 KDM4E (0.46) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL13121650 0.79 GABRA1 (0.52) KDM4EPOLBALDH1A1SMN1; SMN2HPGD
SCHEMBL27503559 0.77 ALOX5 (0.43) KDM4EPOLBALDH1A1IAPPNPC1
SCHEMBL10752939 0.77 KDM4E (0.49) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL6470277 0.76 KDM4E (0.44) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL3297999 0.76 KDM4E (0.44) KDM4EPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL5693424 0.76 LMNA (0.51) KDM4EPOLBALDH1A1TSHRSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100429259-C Stabilizer mixtures for polyolefins CIBA SC HOLDING AG (CH) 2008-10-29 CN disclosed
CN-1404501-A Stabilizer mixtures for polyolefins CIBA SC HOLDING AG (CH) 2003-03-19 CN disclosed
CN-1074013-C 3-arylbenzofuranones as stabilisers and its use CIBA SPECIALTY CHEMIALS HOLDIN (CH) 2001-10-31 CN disclosed
CN-1191229-A 3-arylbenzofuranones as stabilisers and its use CIBA GEIGY AG (CH) 1998-08-26 CN disclosed