SCHEMBL2297701

SCHEMBL2297701

CC(C)(c1ccccc1)c1ccc(Cc2cc3cccc(CO)c3nc2C(N)=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 2/20 0.35
PARP1 P09874 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
COPS5 Q92905 1/20 0.33
MPO P05164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CD38 P28907 2/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
PLK1 P53350 1/20 0.32

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
SCHEMBL16735683 0.71 HDAC3 (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL30634304 0.69 PLA2G10 (0.50) CHEK2MEN1KMT2APLA2G10PLA2G2A
SCHEMBL1890156 0.65 DRD4 (0.51) MEN1KMT2AKDM4EALDH1A1
SCHEMBL8992820 0.64 ESR1 (0.59) KDM4EALDH1A1NPC1RAB9APOLB
SCHEMBL6080013 0.63 CYP1A2 (0.46) MEN1KMT2AKDM4EALDH1A1
SCHEMBL3946630 0.62 ADORA2A (0.45) PARP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL29053731 0.62 ALDH1A1 (0.36) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL6079724 0.61 CYP1A2 (0.47) KMT2AKDM4EALDH1A1PLA2G2A
SCHEMBL27969275 0.61 KIF11 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL28613561 0.60 PLA2G10 (0.46) MEN1KMT2APLA2G10PLA2G2ACCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519505-A1 NEW TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF Polichem SA (LU) 2012-11-07 EP disclosed
WO-2011080264-A1 NEW TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM S.A. (LU) 2011-07-07 WO disclosed