SCHEMBL11575402

SCHEMBL11575402

O=C(O)[C@@H](Cc1ccc(O)c(O)c1)NC(F)F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.57
KDM4E B2RXH2 7/20 0.55
HSD17B10 Q99714 6/20 0.55
TDP1 Q9NUW8 6/20 0.55
RECQL P46063 5/20 0.55
ALOX15 P16050 4/20 0.55
HIF1A Q16665 4/20 0.55
USP2 O75604 3/20 0.55
LCK P06239 3/20 0.55
ADORA3 P0DMS8 2/20 0.55
HTR2A P28223 2/20 0.55
PTGS2 P35354 2/20 0.55
FYN P06241 2/20 0.55
EGFR P00533 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC7A5 Q01650 1/20 0.55
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
MME P08473 1/20 0.50
ACE P12821 1/20 0.50

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
SCHEMBL679483 1.00 KDM6B (0.57) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL31189097 1.00 KDM6B (0.57) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL11575407 1.00 KDM6B (0.57) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL22957012 0.84 KDM6B (0.57) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL21090091 0.84 KDM6B (0.57) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL30915529 0.84 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL29577557 0.84 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL2321567 0.84 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL3736877 0.84 KDM6B (0.60) KDM6BKDM4EHSD17B10TDP1RECQL
SCHEMBL30724831 0.83 KDM6B (0.64) KDM6BKDM4EHSD17B10TDP1RECQL

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-0000034-A1 Fluorinated amines, compositions and process for preparing said compounds MERCK & CO. INC. (US) 1978-12-20 EP disclosed