SCHEMBL7299806

SCHEMBL7299806

[O]CS(=O)(=O)c1ncccn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
AURKA O14965 1/20 0.35
DHFR P00374 1/20 0.35
TSHR P16473 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HSP90AA1 P07900 1/20 0.35
P2RX7 Q99572 2/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
CA9 Q16790 1/20 0.32
COMT P21964 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL10727966 0.79 COMT (0.43) LMNAHDAC8COMTSMN1; SMN2THRB
SCHEMBL27750815 0.77 COMT (0.31) LMNAAURKADHFRTSHRCOMT
SCHEMBL7299811 0.77 TSHR (0.35) LMNAAURKADHFRTSHRP2RX7
SCHEMBL7289744 0.73 KEAP1 (0.36) HDAC8
SCHEMBL14467778 0.73 CA2 (0.41) TSHRP2RX7CA1CA2CA9
SCHEMBL51141 0.72 CA1 (0.43) LMNAHSP90AA1CA1CA2MAPK1
SCHEMBL7349112 0.72 KMT2A (0.33) MEN1KMT2AALDH1A1PKMALOX15
SCHEMBL6911378 0.72 ALDH1A1 (0.53) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4685419 0.72 NFE2L2 (0.49) LMNATSHRHDAC8MEN1THRB
SCHEMBL5593062 0.71 TXNRD1 (0.37) LMNAHDAC8HSP90AA1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed