SCHEMBL8074644

SCHEMBL8074644

CC(=O)Oc1c(OCC=C(C)C)c2ccc(NCc3ccccc3)cc2n(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAOB P27338 1/20 0.36
ADORA2B P29275 2/20 0.36
ADORA1 P30542 1/20 0.36
SRC P12931 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ADORA2A P29274 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL8004368 0.93 TRPV1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8004374 0.93 TRPV1 (0.41) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7988986 0.91 MAOB (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL8004050 0.89 MAOB (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL7999664 0.88 MAOB (0.36) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL7998987 0.87 ADRA2A (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AMAOB
SCHEMBL8000955 0.85 BACE1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL8000960 0.85 BACE1 (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7992032 0.84 KDM4E (0.43) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8004758 0.84 ALOX15 (0.39) KDM4EALDH1A1MEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785190-B1 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-08-16 EP disclosed
US-5942521-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1999-08-24 US disclosed
EP-0785190-A2 Quinolinone derivative and antiallergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-07-23 EP disclosed