SCHEMBL7494200

SCHEMBL7494200

O=C(O)c1cnc(-c2cccc(-c3ccccn3)n2)c(C(=O)O)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
LMNA P02545 4/20 0.50
CCR1 P32246 3/20 0.50
CCR5 P51681 3/20 0.50
CCR8 P51685 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
ALPL P05186 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALPI P09923 1/20 0.50
ALPG P10696 1/20 0.50
ALOX15 P16050 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM4A O75164 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43

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
SCHEMBL8806415 0.84 KDM4E (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL986761 0.81 KDM4E (0.46) KDM4ELMNATDP1L3MBTL1TP53
SCHEMBL8195742 0.80 KDM4E (0.61) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1539362 0.80 KDM4E (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29436013 0.80 KDM4E (0.45) KDM4ELMNATDP1L3MBTL1TP53
SCHEMBL87737 0.73 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28620059 0.72 DHODH (0.51) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31663481 0.72 KDM4E (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8952364 0.72 KDM4E (0.49) KDM4ELMNACCR1CCR5CCR8
SCHEMBL28556199 0.72 KDM4E (0.49) KDM4ELMNACCR1CCR5CCR8

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
EP-1178084-A1 Processes for the preparation of carboxylate and phosphonate ruthenium polypyridine dyes and intermediates Neomat S.A. (LU) 2002-02-06 EP disclosed