SCHEMBL9688943

SCHEMBL9688943

CS(=O)(=O)Nc1ccc(CC#N)c2cn[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.46
JAK1 P23458 3/20 0.46
METAP2 P50579 4/20 0.43
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
SLC22A12 Q96S37 2/20 0.34
PLA2G7 Q13093 2/20 0.33
PARP14 Q460N5 2/20 0.33
NR3C1 P04150 2/20 0.33
PGR P06401 2/20 0.33
NR3C2 P08235 2/20 0.33
AR P10275 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
EPHB4 P54760 1/20 0.32
EP300 Q09472 1/20 0.32
KAT2B Q92831 1/20 0.32
KAT8 Q9H7Z6 1/20 0.32

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
SCHEMBL9688716 0.81 JAK2 (0.47) JAK2JAK1METAP2TYK2JAK3
SCHEMBL9687964 0.79 JAK2 (0.45) JAK2JAK1METAP2TYK2JAK3
SCHEMBL7571395 0.72 METAP2 (0.33) METAP2
SCHEMBL4986538 0.71 EP300 (0.33) SLC22A12PARP14EP300KAT2BKAT8
SCHEMBL9687961 0.69 HPGD (0.48)
SCHEMBL2564270 0.69 KEAP1 (0.38) METAP2NR3C1PGRNR3C2AR
SCHEMBL4624216 0.68 KEAP1 (0.46) PARP14NR3C1PGRNR3C2AR
SCHEMBL2387578 0.68 TRPV1 (0.33) SLC22A12NR3C1NR3C2EP300KAT2B
SCHEMBL12304314 0.68 ALDH1A1 (0.32) SLC22A12EP300KAT2BKAT8
SCHEMBL14092111 0.67 NR3C1 (0.39) SLC22A12NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed