SCHEMBL3788846

SCHEMBL3788846

COc1c(N)c(OC)c(OC)c(-c2ccc(N)cc2)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 3/20 0.43
TP53 P04637 2/20 0.42
APP P05067 2/20 0.41
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 0.39
CYP19A1 P11511 4/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 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
SCHEMBL7682586 0.88 TDP1 (0.41) TDP1MAPK1ALDH1A1CYP3A4TP53
SCHEMBL27903809 0.76 MAPT (0.46) TDP1MAPK1ALDH1A1CYP3A4PDE4A
SCHEMBL1484214 0.75 TDP1 (0.36) TDP1MAPK1ALDH1A1CYP3A4APP
SCHEMBL27880134 0.72 PDE4B (0.52) MAPK1ALDH1A1CYP3A4PDE4APDE4B
SCHEMBL24561 0.72 TDP1 (0.67) TDP1MAPK1ALDH1A1CYP3A4TP53
SCHEMBL3841537 0.72 PDE4B (0.47) MAPK1ALDH1A1PDE4APDE4BPDE4C
SCHEMBL28601470 0.71 FYN (0.47) TDP1ALDH1A1CYP3A4CYP19A1HSD17B10
SCHEMBL3841534 0.71 PDE4B (0.50) MAPK1ALDH1A1PDE4APDE4BPDE4C
Benzidine SCHEMBL28611518 0.70 TDP1 (0.73) TDP1MAPK1ALDH1A1CYP3A4TP53
SCHEMBL6020612 0.70 CYP3A4 (0.62) TDP1MAPK1ALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108808078-A Safety-type gel electrolyte materials of polyimide nonwoven fabric base and preparation method thereof 北京大学 2018-11-13 CN claimed
CN-117229159-A Nitrite detection method 四川大学 2023-12-15 CN disclosed
CN-108808078-A Safety-type gel electrolyte materials of polyimide nonwoven fabric base and preparation method thereof 北京大学 2018-11-13 CN disclosed
US-20100310755-A1 ULTRA-SENSITIVE DETECTION OF FAINT FINGERPRINTS ON ROUGH SURFACES AND CORRESPONDING FINGERPRINT DETECTION KIT Appealing Products, Inc. (US) 2010-12-09 US disclosed
EP-1240361-A4 METHOD FOR DETECTING REPLICATION COMPETENT VIRUSES IN THE SERA OF SUBJECTS RECEIVING GENE THERAPY VIROMED LTD (KR) 2005-01-12 EP disclosed
CN-1440454-A Biological identification system with integrated sensor chip JEN GAU JR (US) 2003-09-03 CN disclosed
CN-1411513-A Method for detecting replication-competent virus in serum of subject receiving gene therapy DIJI CO LTD (KR) 2003-04-16 CN disclosed
EP-1240361-A1 METHOD FOR DETECTING REPLICATION COMPETENT VIRUSES IN THE SERA OF SUBJECTS RECEIVING GENE THERAPY Kim, Sun-Young (KR) 2002-09-18 EP disclosed
WO-2001036688-A1 METHOD FOR DETECTING REPLICATION COMPETENT VIRUSES IN THE SERA OF SUBJECTS RECEIVING GENE THERAPY DIACHIP LIMITED (KR) 2001-05-25 WO disclosed