SCHEMBL11235758

SCHEMBL11235758

CN(CCO)c1nc(F)nc(F)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SLC29A1 Q99808 3/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
NOX1 Q9Y5S8 1/20 0.33
MAPK1 P28482 1/20 0.33
PKM P14618 1/20 0.32
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
EHMT2 Q96KQ7 1/20 0.30
EHMT1 Q9H9B1 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
KDR P35968 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
SCHEMBL1031875 0.84 CA12 (0.46) CA12CA1CA2CA9SLC29A1
SCHEMBL11772001 0.77 LMNA (0.52) CA12CA1CA2CA9SLC29A1
SCHEMBL11764977 0.77 LMNA (0.52) CA12CA1CA2CA9SLC29A1
SCHEMBL11236707 0.77 SLC29A1 (0.48) SLC29A1MAPTKDM4ETDP1HSD17B10
SCHEMBL12295196 0.77 HCRTR1 (0.42) CA12CA1CA2CA9POLB
SCHEMBL11765891 0.76 CA12 (0.42) CA12CA1CA2CA9SLC29A1
SCHEMBL11768860 0.76 CA12 (0.42) CA12CA1CA2CA9SLC29A1
SCHEMBL11221763 0.75
SCHEMBL15789176 0.74 SLC29A1 (0.41) CA12CA1CA2CA9SLC29A1
SCHEMBL2844607 0.74 CA12 (0.44) CA12CA1CA2CA9SLC29A1

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
EP-0012341-B1 ANTHRAQUINONE REACTIVE DYESTUFFS AND THEIR USE IN DYEING MATERIALS THAT CONTAIN HYDROXYL OR AMIDE GROUPS BAYER AG (DE) 1982-09-08 EP disclosed
US-4332938-A Anthaquinone reactive dyestuffs, their preparation and their use for dyeing materials containing OH groups or amide groups BAYER AKTIENGESELLSCHAFT (DE) 1982-06-01 US disclosed