SCHEMBL13310249

SCHEMBL13310249

NCCC/N=C/CCC/C=N/CCCN

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL29233147 0.94 NFKB1 (0.32) NFKB1CA12CA1CA2CA3
SCHEMBL30931436 0.84 DNM1 (0.44) DNM1TSHR
SCHEMBL19529462 0.82
SCHEMBL28630228 0.80
SCHEMBL25316767 0.80 NFKB1 (0.33) NFKB1CA12CA1CA2CA3
SCHEMBL10942765 0.77 DNM1 (0.48) DNM1TSHR
SCHEMBL181462 0.76
SCHEMBL28025812 0.76
SCHEMBL11344541 0.75 DNM1 (0.52) DNM1TSHR
SCHEMBL27825188 0.75 DNM1 (0.52) DNM1TSHR

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
US-7741010-B2 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20080268371-A1 Polyester, polyurethane, polyether, polyamide, polyurea formed by a monomer containing two imine groups in the back bone and two end groups containing OH, NR2H, COOH, COCL, COOR, NCO and NCS group polymerized with other monomers; a photolatent or heat latent catalyst such as onium compounds, triazines FUJIFILM CORPORATION (JP) 2008-10-30 US disclosed