SCHEMBL7988069

SCHEMBL7988069

CCCCCCOc1c(OC)c(=O)[nH]c2cc(N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CNR2 P34972 4/20 0.39
SRC P12931 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GPR17 Q13304 1/20 0.36
GHSR Q92847 1/20 0.36
GPR84 Q9NQS5 2/20 0.36
HTR1A P08908 5/20 0.36
HTR1D P28221 5/20 0.36
HTR1B P28222 5/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL8000822 0.95 PARP1 (0.43) PARP1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8001892 0.95 PARP1 (0.43) PARP1TSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL8001410 0.95 PARP1 (0.46) PARP1ALDH1A1KDM4ESMN1; SMN2CNR2
SCHEMBL7988816 0.94 PARP1 (0.47) PARP1TSHRALDH1A1KDM4ECNR2
SCHEMBL7988879 0.94 PARP1 (0.47) PARP1TSHRALDH1A1KDM4ECNR2
SCHEMBL8001131 0.93 PARP1 (0.46) PARP1TSHRALDH1A1KDM4ECNR2
SCHEMBL8004628 0.93 PARP1 (0.46) PARP1TSHRALDH1A1KDM4ECNR2
SCHEMBL7998930 0.93 PARP1 (0.46) PARP1TSHRALDH1A1KDM4ECNR2
SCHEMBL8001244 0.90 PARP1 (0.46) PARP1ALDH1A1KDM4ESMN1; SMN2CNR2
SCHEMBL8004352 0.89 PARP1 (0.49) PARP1ALDH1A1KDM4ECNR2SRC

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
US-6114352-A Quinolinone derivative and anti-allergic agent with said quinolinone derivative as the active ingredient DAINIPPON INK AND CHEMICALS, INC. (JP) 2000-09-05 US disclosed
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