SCHEMBL8798497

SCHEMBL8798497

COc1nc(C)cc2nc(S(=O)(=O)Nc3nn(C)cc3Br)nn12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
NMT1 P30419 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CCR4 P51679 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8563298 0.89 NMT1 (0.33) TSHRNMT1LMNANPSR1CCR4
SCHEMBL8798465 0.89 NPC1 (0.32) TSHRLMNAMEN1KMT2A
SCHEMBL8136597 0.83 MEN1 (0.36) TSHRNMT1LMNAMEN1ALDH1A1
SCHEMBL7852586 0.82 CCR4 (0.36) TSHRNMT1MEN1ALDH1A1KMT2A
SCHEMBL8798546 0.77 CCR4 (0.35) NMT1CCR4
SCHEMBL8799880 0.77 TSHR (0.31) TSHRPOLB
SCHEMBL9183848 0.76 CCR4 (0.47) TSHRALDH1A1SMN1; SMN2CCR4POLB
SCHEMBL8798381 0.75 NPC1 (0.35) LMNAMEN1ALDH1A1KMT2ANPSR1
SCHEMBL7853845 0.75 NMT1 (0.32) NMT1LMNAMEN1ALDH1A1KMT2A
SCHEMBL9176740 0.74 CCR4 (0.44) TSHRMEN1ALDH1A1KMT2ACCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0537423-B1 N-pyrazolyl-1,2,4-triazolo(1,5-c)pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-10-08 EP claimed
EP-0537423-A1 N-pyrazolyl-1,2,4-triazolo(1,5-c)pyrimidine-2-sulfonamide herbicides DowElanco (US) 1993-04-21 EP claimed
US-5201938-A N-pyrazolyl-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1993-04-13 US claimed
EP-0537423-B1 N-pyrazolyl-1,2,4-triazolo(1,5-c)pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-10-08 EP disclosed
EP-0537423-A1 N-pyrazolyl-1,2,4-triazolo(1,5-c)pyrimidine-2-sulfonamide herbicides DowElanco (US) 1993-04-21 EP disclosed
US-5201938-A N-pyrazolyl-1,2,4-triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1993-04-13 US disclosed
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP disclosed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO disclosed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP disclosed