SCHEMBL27738652

SCHEMBL27738652

COC(=O)CCc1cccc2nn(-c3ccccc3O)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
KDM4E B2RXH2 3/20 0.43
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
IAPP P10997 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL27368716 0.83 KDM4E (0.46) POLBKDM4ETSHRALDH1A1HPGD
SCHEMBL14607653 0.81 KDM4E (0.44) POLBKDM4ETSHRALDH1A1HPGD
SCHEMBL28284666 0.77 POLB (0.54) POLBKDM4ETSHRALDH1A1HPGD
SCHEMBL5693424 0.75 LMNA (0.51) POLBKDM4ETSHRALDH1A1HPGD
SCHEMBL607310 0.73 NPC1 (0.52) KDM4ETSHRALDH1A1HSD17B10NPC1
SCHEMBL29852765 0.73 NPC1 (0.52) KDM4ETSHRALDH1A1HSD17B10NPC1
SCHEMBL28139129 0.73 POLB (0.62) POLBKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12415468 0.73 KDM4E (0.56) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL3297999 0.73 KDM4E (0.44) POLBKDM4ETSHRALDH1A1HPGD
SCHEMBL6470277 0.73 KDM4E (0.44) POLBKDM4ETSHRALDH1A1HPGD

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
CN-101421343-A Stabilized spandex compositions CYTEC TECH CORP (US) 2009-04-29 CN disclosed