SCHEMBL7989437

SCHEMBL7989437

CCCCCCCCn1c(=O)c(O)c(OCC=C(C)C)c2ccc(NCc3ccccc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
KDM4E B2RXH2 5/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
PSEN1 P49768 6/20 0.40
PSEN2 P49810 6/20 0.40
APH1B Q8WW43 6/20 0.40
NCSTN Q92542 6/20 0.40
APH1A Q96BI3 6/20 0.40
PSENEN Q9NZ42 6/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 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
SCHEMBL7997404 0.93 ADRA2A (0.40) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL7997406 0.93 ADRA2A (0.40) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8004450 0.91 ADRA2A (0.43) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8079821 0.91 ADRA2A (0.43) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8001352 0.89 ADRA2A (0.48) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8001038 0.89 ADRA2A (0.48) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8076366 0.89 ADRA2A (0.42) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8002077 0.87 ADRA2A (0.41) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL8002082 0.87 ADRA2A (0.41) ADRA2AKDM4EHTTSMN1; SMN2HPGD
SCHEMBL7997090 0.87 ADRA2A (0.49) ADRA2AKDM4EHTTSMN1; SMN2HPGD

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