SCHEMBL7962074

SCHEMBL7962074

O=S(=O)(Cl)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.69
ALDH1A1 P00352 2/20 0.62
TSHR P16473 1/20 0.60
NPC1 O15118 1/20 0.60
LMNA P02545 2/20 0.59
MAPK1 P28482 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TRPV4 Q9HBA0 1/20 0.59
MC4R P32245 1/20 0.58
KDM4E B2RXH2 1/20 0.57

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
SCHEMBL6731270 0.87 SIGMAR1 (0.67) SIGMAR1ALDH1A1TSHRNPC1LMNA
SCHEMBL12727134 0.85 KDM4E (0.68) SIGMAR1ALDH1A1NPC1KDM4E
SCHEMBL21034452 0.85 SIGMAR1 (0.64) SIGMAR1ALDH1A1TSHRNPC1LMNA
SCHEMBL1029651 0.85 RECQL (0.73) SIGMAR1ALDH1A1TSHRNPC1LMNA
SCHEMBL7131206 0.84 KDM4E (0.78) ALDH1A1TSHRLMNAMAPK1SMN1; SMN2
SCHEMBL8188324 0.83 SIGMAR1 (1.00) SIGMAR1LMNAMC4R
SCHEMBL576868 0.83 SIGMAR1 (1.00) SIGMAR1LMNAMC4R
SCHEMBL2489199 0.83 SIGMAR1 (1.00) SIGMAR1LMNAMC4R
SCHEMBL1415730 0.83 SIGMAR1 (1.00) SIGMAR1LMNAMC4R
SCHEMBL1041303 0.83 SIGMAR1 (1.00) SIGMAR1LMNAMC4R

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-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0526004-B1 Pyrazolopyrimidinone antianginal agents PFIZER LTD (GB) 1997-10-08 EP disclosed
CN-1034503-C Pyrazolopyrimidinone antianginal agents PFIZER (US) 1997-04-09 CN disclosed
US-5426107-A Treatment of cardiovascular disorders, asthma, allergies PFIZER INC. (US) 1995-06-20 US disclosed
US-5272147-A Pyrazolopyrimidinone antianginal agents PFIZER INC. (US) 1993-12-21 US disclosed
EP-0526004-A1 Pyrazolopyrimidinone antianginal agents Pfizer Limited (GB) 1993-02-03 EP disclosed
CN-1068329-A Pyrazolopyrimidinoneantianginal antianginal agents PFIZER (US) 1993-01-27 CN disclosed