SCHEMBL7567951

SCHEMBL7567951

Cc1c(I)c(=O)[nH]c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.62
DDO Q99489 1/20 0.62
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 9/20 0.53
ALDH1A1 P00352 5/20 0.53
CYP1A2 P05177 3/20 0.53
TNKS2 Q9H2K2 2/20 0.53
PARP1 P09874 2/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
AHR P35869 1/20 0.53
MEN1 O00255 1/20 0.53
TNKS O95271 1/20 0.53
GPR3 P46089 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
PARP15 Q460N3 1/20 0.53
TDP1 Q9NUW8 1/20 0.49
CYP2C19 P33261 1/20 0.48

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
SCHEMBL29314622 0.85 DAO (0.58) DAODDORAB9AKDM4EALDH1A1
SCHEMBL6220014 0.82 DAO (0.69) DAODDORAB9AKDM4EALDH1A1
SCHEMBL27807142 0.77 DAO (0.62) DAODDORAB9AKDM4EALDH1A1
SCHEMBL31018132 0.77 DAO (0.62) DAODDORAB9AKDM4EALDH1A1
SCHEMBL13847310 0.77 DAO (0.62) DAODDORAB9AKDM4EALDH1A1
SCHEMBL28784055 0.77 DAO (0.62) DAODDORAB9AKDM4EALDH1A1
SCHEMBL21977684 0.77 DAO (0.62) DAODDORAB9AKDM4EALDH1A1
SCHEMBL3360017 0.77 DAO (1.00) DAODDORAB9AKDM4EALDH1A1
SCHEMBL21260226 0.75 AHR (0.61) DAODDORAB9AKDM4EALDH1A1
SCHEMBL14937732 0.74 HTT (0.61) DAODDORAB9AKDM4EALDH1A1

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
WO-2002046163-A2 QUINOLINE DERIVATIVES AND THEIR USE AS ANTI-EPILEPTICS WACKERNAGEL MICHAEL (DE) 2002-06-13 WO disclosed