SCHEMBL7047752

SCHEMBL7047752

O=[N+]([O-])c1ccsc1CBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.38
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
ESR2 Q92731 1/20 0.33
GPR35 Q9HC97 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
RECQL P46063 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 1/20 0.32
PKM P14618 1/20 0.32
GSK3B P49841 1/20 0.32
MAPT P10636 3/20 0.31
CYP3A4 P08684 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL5116101 0.80 PDE7A (0.38) PDE7ATDP1ALDH1A1TSHRESR2
SCHEMBL10102505 0.80 PDE7A (0.38) PDE7ATDP1ALDH1A1TSHRNPC1
SCHEMBL5841002 0.77
SCHEMBL3048722 0.76 CYP1A2 (0.46) PDE7AALDH1A1TSHRESR2NPC1
SCHEMBL3803427 0.76 PDE7A (0.36) PDE7ATDP1ALDH1A1TSHRESR2
SCHEMBL875890 0.72 ALOX15 (0.34) PDE7ATDP1ALDH1A1ESR2NPC1
SCHEMBL11826120 0.72 PDE7A (0.43) PDE7ATDP1ALDH1A1TSHRESR2
SCHEMBL25983222 0.71 ESR2 (0.49) PDE7ATDP1ALDH1A1ESR2GPR35
SCHEMBL27598784 0.71 PDGFRB (0.45) ALDH1A1NPC1RAB9AHSD17B10HTT
SCHEMBL872076 0.70 PDE7A (0.46) PDE7ATDP1ALDH1A1TSHRESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0850224-B1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LTD (NZ) 2003-04-09 EP disclosed
EP-1225169-A1 Radiation-activated cytotoxin therapy AUCKLAND UNISERVICES LIMITED (NZ) 2002-07-24 EP disclosed
US-6071908-A A RADIATION-ACTIVATED CYTOTOXIN PRODRUG HAVING LOW TOXICITY, WHICH CAN BE REDUCED BY REDUCING AGENTS GENERATED BY THE RADIOLYSIS OF WATER WHICH RELEASES AN CYTOXIC EFFECTOR; ANTITUMOR,-CARCINOGENIC AGENTS; AUCKLAND UNISERVICES LIMITED (NZ) 2000-06-06 US disclosed
EP-0850224-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1998-07-01 EP disclosed
WO-1997007101-A1 RADIATION-ACTIVATED CYTOTOXIN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 1997-02-27 WO disclosed