SCHEMBL5501400

SCHEMBL5501400

O=[SH2]=Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.52
NOS1 P29475 4/20 0.50
ALDH1A1 P00352 5/20 0.46
HSD17B10 Q99714 3/20 0.46
ACHE P22303 1/20 0.46
NOS3 P29474 2/20 0.44
LMNA P02545 1/20 0.44
CES1 P23141 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
CASP3 P42574 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 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
SCHEMBL128519 0.77 PLAU (0.55) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL3173958 0.77 PLAU (0.59) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL3282773 0.77 MEN1 (0.61) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL3282776 0.77 MEN1 (0.61) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL22567 0.75 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL27909482 0.75 ALDH1A1 (0.72) ALDH1A1HSD17B10ACHELMNACES1
SCHEMBL4365351 0.75 PLAU (0.57) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL12155535 0.73 PLAU (0.55) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL4168380 0.73 NOS1 (0.59) PLAUNOS1ALDH1A1HSD17B10ACHE
SCHEMBL128520 0.73 PLAU (0.55) PLAUNOS1ALDH1A1HSD17B10ACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861378-A1 N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS Bayer Schering Pharma Aktiengesellschaft (DE) 2007-12-05 EP disclosed
WO-2006099974-A1 N-ARYL-SULFOXIMINE-SUBSTITUTED PYRIMIDINES AS CDK- AND/OR VEGF INHIBITORS, THEIR PRODUCTION AND USE AS PHARMACEUTICAL AGENTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-09-28 WO disclosed