SCHEMBL8798465

SCHEMBL8798465

CCOc1nc(C)cc2nc(S(=O)(=O)Nc3nn(C)cc3Br)nn12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
KMT2A Q03164 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
SCHEMBL8798497 0.89 TSHR (0.37) TSHRLMNAMEN1KMT2A
SCHEMBL8798381 0.85 NPC1 (0.35) NPC1RAB9AKDM4ETP53HSD17B10
SCHEMBL8563298 0.78 NMT1 (0.33) TSHRLMNA
SCHEMBL8136597 0.76 MEN1 (0.36) TSHRLMNAMEN1KMT2A
SCHEMBL8015385 0.75 L3MBTL1 (0.34) KDM4EHSD17B10MEN1PKMKMT2A
SCHEMBL7852586 0.73 CCR4 (0.36) TSHRMEN1KMT2A
SCHEMBL8881335 0.73 TSHR (0.37) TSHRKDM4ETP53LMNA
SCHEMBL8323598 0.72 SMN1; SMN2 (0.34) TSHRLMNA
SCHEMBL8097869 0.71 LMNA (0.31) LMNA
SCHEMBL8882800 0.71 TSHR (0.32) TSHR

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-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-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 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