SCHEMBL7047798

SCHEMBL7047798

O=[N+]([O-])c1cnc(N2CCOCC2)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
CYP2C9 P11712 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
POLB P06746 2/20 0.49
MAPT P10636 2/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX15 P16050 1/20 0.45
GAA P10253 2/20 0.43
MPI P34949 1/20 0.43
LMNA P02545 1/20 0.41
MLYCD O95822 1/20 0.41
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2826648 0.81 SMN1; SMN2 (0.64) CYP1A2SMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL15545470 0.77 POLB (0.56) CYP1A2SMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL11738041 0.76 SMN1; SMN2 (0.61) CYP1A2SMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL2750222 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TSHRALDH1A1MAPTALOX15
SCHEMBL1852489 0.72 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1POLBMAPTALOX15
SCHEMBL18291769 0.72 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1POLBMAPTALOX15
Niridazole SCHEMBL126396 0.72 SMN1; SMN2 (1.00) CYP1A2SMN1; SMN2CYP3A4TSHRHSD17B10
SCHEMBL2305453 0.71 SMN1; SMN2 (0.48) SMN1; SMN2HSD17B10ALDH1A1HPGDMAPT
SCHEMBL2790636 0.71 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHSD17B10ALDH1A1HPGD
SCHEMBL2305450 0.71 SMN1; SMN2 (0.48) SMN1; SMN2TSHRHSD17B10ALDH1A1HPGD

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