SCHEMBL9018930

SCHEMBL9018930

O=C(c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.67
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.62
POLB P06746 2/20 0.61
MAPK1 P28482 2/20 0.61
CES1 P23141 1/20 0.59
TDP1 Q9NUW8 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
CA1 P00915 3/20 0.57
CA2 P00918 3/20 0.57
TSHR P16473 2/20 0.55
GSK3B P49841 1/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
CA14 Q9ULX7 1/20 0.54

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
SCHEMBL8094198 1.00 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL8094425 1.00 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL8095914 1.00 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL8094269 0.89 SRD5A2 (0.67) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL10723714 0.88 SRD5A2 (0.83) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL975118 0.88 SRD5A2 (0.83) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL28257636 0.87 SRD5A2 (0.65) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL413193 0.87 SRD5A2 (0.65) SRD5A2LMNAGAAL3MBTL1POLB
SCHEMBL4687803 0.87 TDP1 (0.78) SRD5A2POLBMAPK1CES1TDP1
SCHEMBL44366 0.85 POLB (0.76) LMNAPOLBALDH1A1MAPTCA1

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
US-5543573-A INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0462456-B1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO LTD (JP) 1996-05-08 EP disclosed
EP-0462456-A1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1991-12-27 EP disclosed