SCHEMBL28834532

SCHEMBL28834532

NCCCCNCC(O)CN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA2 P00918 3/20 0.50
CA4 P22748 3/20 0.50
CA6 P23280 3/20 0.50
CA5A P35218 3/20 0.50
CA7 P43166 3/20 0.50
CA9 Q16790 3/20 0.50
CA14 Q9ULX7 3/20 0.50
CA5B Q9Y2D0 3/20 0.50
F13A1 P00488 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
THPO P40225 2/20 0.50
PKM P14618 2/20 0.50
CA3 P07451 2/20 0.50
CA1 P00915 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
MTOR P42345 1/20 0.50
LMNA P02545 1/20 0.48

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
SCHEMBL24459735 0.98 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL3015969 0.93 CA12 (0.48) CA12CA2CA4CA6CA5A
SCHEMBL9325021 0.88 CA12 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL3013403 0.88
SCHEMBL13989322 0.86 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL7762477 0.83 CA12 (0.52) CA12CA2CA4CA6CA5A
SCHEMBL11408576 0.83 CA12 (0.46) CA12CA2CA4CA6CA5A
SCHEMBL24660854 0.83 PKM (0.38) CA12CA2CA4CA6CA5A
SCHEMBL793271 0.83 ANPEP (0.49) PKMTSHRANPEP
SCHEMBL8415084 0.83 CA12 (0.46) CA12CA2CA4CA6CA5A

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
CN-106132402-A Pharmaceutical product for the prevention and treatment of progressive myopia 伊万·德米崔伊维奇·扎哈洛夫 2016-11-16 CN claimed
CN-106132402-A Pharmaceutical product for the prevention and treatment of progressive myopia 伊万·德米崔伊维奇·扎哈洛夫 2016-11-16 CN disclosed