SCHEMBL20216031

SCHEMBL20216031

O=C(Cc1cnc2c(CCO)cccc2c1-c1ccccc1)NCCCCOP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 5/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HIF1A Q16665 1/20 0.34
MTNR1A P48039 2/20 0.34
PPARG P37231 4/20 0.34
NR1H2 P55055 4/20 0.34
NR1H3 Q13133 4/20 0.34
PPARD Q03181 2/20 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
SCHEMBL18086330 0.91 TERT (0.39) TERTKDM4EMTNR1APPARGNR1H2
SCHEMBL22404704 0.91 TERT (0.40) TERTMTNR1APPARGNR1H2NR1H3
SCHEMBL22172455 0.91 TERT (0.40) TERTHIF1AMTNR1APPARGNR1H2
SCHEMBL20375671 0.91 MTNR1A (0.36) TERTCA12CA1CA2CA3
SCHEMBL22077955 0.90 HPGD (0.42) CA12CA1CA2CA3CA4
SCHEMBL17954246 0.89 TERT (0.37) TERTMTNR1APPARGNR1H2NR1H3
SCHEMBL17955294 0.89 TERT (0.39) TERTPPARGNR1H2NR1H3PPARD
SCHEMBL17381242 0.88 CA12 (0.41) CA12CA1CA2CA3CA4
SCHEMBL17954278 0.88 GAA (0.34) TERTCA12CA1CA2CA3
SCHEMBL20101483 0.88 CA12 (0.36) TERTCA12CA1CA2CA3

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
US-9988627-B2 Formats for organic compounds for use in RNA interference NOVARTIS AG (CH) 2018-06-05 US disclosed