SCHEMBL10488239

SCHEMBL10488239

O=Cc1c2ccccc2c(Cl)c2ccc(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.54
PADI4 Q9UM07 1/20 0.41
AHR P35869 2/20 0.41
NPSR1 Q6W5P4 3/20 0.40
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 1/20 0.37
NOD2 Q9HC29 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GMNN O75496 1/20 0.36

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
SCHEMBL10488425 0.96 SLC2A1 (0.54) SLC2A1PADI4AHRNPSR1KDM4E
SCHEMBL10997990 0.94 SLC2A1 (0.46) SLC2A1PADI4AHRNPSR1KDM4E
Hydrochloric Acid SCHEMBL11307480 0.92 SLC2A1 (0.49) SLC2A1PADI4AHRNPSR1KDM4E
SCHEMBL10488245 0.92 SLC2A1 (0.51) SLC2A1AHRTDP1ALDH1A1MEN1
SCHEMBL11298888 0.88 TDP1 (0.46) SLC2A1AHRNPSR1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL11299376 0.86 TDP1 (0.45) SLC2A1AHRTDP1ALDH1A1MEN1
SCHEMBL1616239 0.86 PADI4 (0.52) SLC2A1PADI4NPSR1KDM4ETDP1
SCHEMBL11763753 0.82 ALB (0.45) SLC2A1PADI4NPSR1TDP1ALDH1A1
SCHEMBL10348681 0.81 ERN1 (0.42) SLC2A1PADI4NPSR1TDP1ALDH1A1
SCHEMBL10488283 0.80 PADI4 (0.40) SLC2A1PADI4NPSR1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4803226-A ANTITUMOR AGENTS BURROUGHS WELLCOME CO. (US) 1989-02-07 US disclosed
US-4803221-A Anthracene derivatives BURROUGHS WELLCOME CO. (US) 1989-02-07 US disclosed
US-4719047-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed
US-4719049-A ANTITUMOR BURROUGHS WELLCOME CO. (US) 1988-01-12 US disclosed
EP-0125702-B1 POLYCYCLIC AROMATIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1987-08-12 EP disclosed
EP-0125702-A2 Polycyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1984-11-21 EP disclosed