SCHEMBL6578899

SCHEMBL6578899

C=CNc1ccc(C(=O)OCC)c(NC)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.45
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
CDC25B P30305 1/20 0.40
DHODH Q02127 1/20 0.40
KDM4E B2RXH2 5/20 0.39
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL28057743 0.86 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL6582150 0.81 SMN1; SMN2 (0.55) CA12CA1CA2CA7CA9
SCHEMBL11815650 0.77 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6577045 0.76 RAB9A (0.52) CA12CA1CA2CA7CA9
SCHEMBL14217003 0.76 MAPK1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL27516313 0.75 RAB9A (0.61) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6382375 0.74 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL6581079 0.74 KMT2A (0.45) MCL1CA12CA1CA2CA7
Hydrochloric Acid SCHEMBL6382400 0.73 KDM4E (0.52) CA12CA1CA2CA7CA9
SCHEMBL22675636 0.73 KDM4E (0.43) MCL1ALDH1A1KDM4EHSD17B10HPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927718-B1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK & CHEMICALS (JP) 2004-02-25 EP disclosed
US-6271416-B1 O-(HYDROCARBONOXYACETAMIDO)BENZOIC ACID DERIVATIVES AS INTERMEDIATES DAINIPPON INK AND CHEMICALS, INC. (JP) 2001-08-07 US disclosed
US-6136822-A ETHER, HYDROXY QUINOLINONE COMPOUNDS DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-10-24 US disclosed
EP-0927718-A1 Quinolinone derivative, method for preparing the same, and anti-allergic agent DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-07-07 EP disclosed