SCHEMBL5313843

SCHEMBL5313843

Cc1c([N+](=O)[O-])c[nH]c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ERN1 O75460 2/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36
PRKDC P78527 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.35
GPR35 Q9HC97 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RAB9A P51151 1/20 0.33
XDH P47989 1/20 0.33
ALDH5A1 P51649 1/20 0.33

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
SCHEMBL8319090 0.76 MAPT (0.46) KDM4ETDP1TSHRMAPTALDH1A1
SCHEMBL8319779 0.76 MAPT (0.46) KDM4ETDP1TSHRMAPTALDH1A1
SCHEMBL8300965 0.73 POLB (0.41) TSHRMAPTALDH1A1KMT2AMAPK1
SCHEMBL722679 0.69 KDM4E (0.55) KDM4ETDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL22576052 0.69 KDM4E (0.55) KDM4ETDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL29953509 0.69 TRIM24 (0.41) KDM4ETDP1ERN1TSHRMAPT
SCHEMBL28869321 0.68 KDM4E (0.44) KDM4ETDP1ERN1TSHRSMN1; SMN2
SCHEMBL5410484 0.68 ALDH1A1 (0.44) KDM4ETDP1ERN1HSD17B10CYP3A4
SCHEMBL1200250 0.68 KDM4E (0.53) KDM4ETDP1TSHRSMN1; SMN2HSD17B10
SCHEMBL9451720 0.68 KDM4E (0.41) KDM4ETDP1TSHRSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007045096-A1 OLIGOHETEROAROMATIC LUMINISCENT ASSEMBLIES AS HIGH-AFFINITY DNA SEQUENCE-DIRECTED LIGANDS UNIVERSITY OF SASKATCHEWAN (CA) 2007-04-26 WO disclosed
EP-0938474-A2 CYCLOPROPYLINDOLE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1999-09-01 EP disclosed
WO-1998011101-A2 CONDENSED N-ACLYINDOLES AS ANTITUMOR AGENTS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-03-19 WO disclosed