SCHEMBL10549335

SCHEMBL10549335

O=C1CC(c2ccccc2[N+](=O)[O-])=NN1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.51
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 4/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
KMT2A Q03164 5/20 0.44
RECQL P46063 1/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.43
GUSB P08236 1/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43
PTPN1 P18031 1/20 0.42

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
SCHEMBL5565984 0.73 AXL (0.58) AXLCRBNALDH1A1MAPTGABRA1
SCHEMBL11438109 0.73 AXL (0.58) AXLCRBNALDH1A1MAPTGABRA1
SCHEMBL9878571 0.73 AXL (0.58) AXLALDH1A1MAPTKMT2AMEN1
SCHEMBL6773844 0.73 ALDH1A1 (0.47) CRBNALDH1A1TDP1MAPTGABRA1
SCHEMBL10547950 0.72 CRBN (0.47) CRBNALDH1A1TDP1MAPTKMT2A
SCHEMBL1287837 0.71 ALDH1A1 (0.74) ALDH1A1TDP1KMT2ARECQLMEN1
SCHEMBL30535903 0.71 ALDH1A1 (0.74) ALDH1A1TDP1KMT2ARECQLMEN1
SCHEMBL8362493 0.71 MAPT (0.50) CRBNALDH1A1TDP1MAPTKMT2A
SCHEMBL2892328 0.71 AXL (0.46) AXLALDH1A1MAPTKMT2AMEN1
SCHEMBL5560697 0.70 AXL (0.57) AXLALDH1A1MAPTKMT2AMEN1

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-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed