SCHEMBL10927554

SCHEMBL10927554

O=c1ccc2cc(OCCCC[S+]([O-])c3ccc(-c4ccccc4F)cc3)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 5/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 1/20 0.38
PDE5A O76074 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
PTAFR P25105 1/20 0.38
CYP2C19 P33261 1/20 0.38
BLM P54132 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE3A Q14432 1/20 0.38

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
SCHEMBL10928658 0.88 PDE3B (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10932055 0.86 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10927018 0.86 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10929979 0.82 PDE3B (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10924756 0.82 F11 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10927867 0.82 PDE10A (0.43) PDE10AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11275791 0.79 MEN1 (0.41) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL10928624 0.79 PDE3B (0.43) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11277267 0.78 DRD2 (0.49) DRD2DRD4DRD3HTR2B
SCHEMBL10927010 0.78 DRD2 (0.42) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4551464-A AND SULFIMINO CARBOSTYRILS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-11-05 US disclosed
WO-1985003699-A1 EARLY HIGH-STRENGTH MINERAL POLYMER PYRAMENT, INC. (US) 1985-08-29 WO disclosed
EP-0153097-A2 Early high-strength concrete composition LONE STAR INDUSTRIES, INC. (US) 1985-08-28 EP disclosed
EP-0071150-B1 SULFIMINES, THEIR SALTS AND THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1985-07-03 EP disclosed
US-4509985-A FAST HARDENING CONCRETE COMPRISING MIXED OXIDE REACTION PRODUCT OFBLAST FURNANCE SLAG AND AN ALKALI METAL ALUMINUM SILICATES PYRAMENT INC. (US) 1985-04-09 US disclosed
US-4472199-A POTASSIUM ALUMINUM SILICATES LONE STAR INDUSTRIES, A CORP. OF CONNECTICUT 1984-09-18 US disclosed
US-4442111-A Antithrombotic sulfimino and sulfoximino indolinones-2 DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-04-10 US disclosed
EP-0071150-A1 Sulfimines, their salts and their preparation, and pharmaceutical compositions containing them Dr. Karl Thomae GmbH (DE) 1983-02-09 EP disclosed
US-4349386-A POTASSIUM SODIUM ALUMINUM SILICATES LONE STAR INDUSTRIES,A CORP. OF CONNECTICUT 1982-09-14 US disclosed