SCHEMBL10550224

SCHEMBL10550224

CSc1cc(-c2ccccc2[N+](=O)[O-])[nH]n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 5/20 0.59
HPGD P15428 4/20 0.59
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 5/20 0.56
NPC1 O15118 1/20 0.56
ALPL P05186 1/20 0.56
LMNA P02545 1/20 0.55
MAPK1 P28482 1/20 0.52
GAA P10253 3/20 0.52
GFER P55789 2/20 0.52
TDP1 Q9NUW8 1/20 0.44
AXL P30530 1/20 0.42
KEAP1 Q14145 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MAOB P27338 1/20 0.40
MGAM O43451 2/20 0.39
SI P14410 2/20 0.39

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
SCHEMBL7457669 0.82 KMT2A (0.62) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL22204506 0.79 KMT2A (0.62) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL29867786 0.79 KMT2A (0.62) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL7464495 0.78 KMT2A (0.58) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL10554639 0.75 ALDH1A1 (0.44) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL22204510 0.75 KMT2A (0.61) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL29867812 0.75 KMT2A (0.61) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL10550891 0.75 KMT2A (0.54) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL3763032 0.75 KMT2A (0.65) KMT2AMEN1HPGDALDH1A1RAB9A
SCHEMBL10357786 0.74 KMT2A (1.00) KMT2AMEN1HPGDALDH1A1RAB9A

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
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
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