SCHEMBL8010356

SCHEMBL8010356

Cn1ccnc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
HSD11B1 P28845 1/20 0.48
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 1/20 0.44
GAA P10253 3/20 0.43
MGAM O43451 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALPL P05186 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL28918128 0.81 ALDH1A1 (0.42) HSD11B1ALDH1A1TDP1HSD17B10GAA
SCHEMBL27735343 0.78 ALDH1A1 (0.43) HSD11B1ALDH1A1TDP1HSD17B10KMT2A
Hydrochloric Acid SCHEMBL4345829 0.76 BRD4 (0.57) BRD4HSD17B10ADRA1DADRA1AADRA1B
SCHEMBL5698528 0.76 CYP3A4 (0.43) BRD4ALDH1A1TDP1GAAKMT2A
SCHEMBL5698534 0.76 CYP3A4 (0.43) BRD4ALDH1A1TDP1GAAKMT2A
SCHEMBL6372007 0.75 HSD11B1 (0.48) HSD11B1ALDH1A1TDP1HSD17B10GAA
SCHEMBL11046318 0.75 ALDH1A1 (0.55) HSD11B1ALDH1A1TDP1GAAMGAM
SCHEMBL13587950 0.74 BRD4 (0.56) BRD4ALDH1A1TDP1HSD17B10ADRA1D
SCHEMBL19171596 0.72 BRD4 (0.54) BRD4HSD17B10ADRA1DADRA1AADRA1B
SCHEMBL6367092 0.72 TDP1 (0.50) HSD11B1ALDH1A1TDP1HSD17B10GAA

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-6043254-A ANTIPROLIFERATIVE AGENT; ENZYME INHIBITOR BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-03-28 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4602940-A HERBICIDES, PLANT GROWTH REGULATOR E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-07-29 US disclosed
US-4534790-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-08-13 US disclosed
US-4465505-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1984-08-14 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed