SCHEMBL904865

SCHEMBL904865

CN1Cc2ccccc2NS1(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.49
CREBBP Q92793 1/20 0.49
SLC40A1 Q9NP59 1/20 0.46
KDM4E B2RXH2 2/20 0.39
RECQL P46063 1/20 0.39
OPRL1 P41146 4/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
PTPN1 P18031 1/20 0.36
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HSD17B3 P37058 1/20 0.34
AHR P35869 1/20 0.33
PDK2 Q15119 1/20 0.33
NOTUM Q6P988 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2603740 0.79 KDM4E (0.47) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL8317223 0.78 PSEN1 (0.45) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL14371346 0.78 BRD4 (0.41) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL8316786 0.77 PSEN1 (0.43) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL8315075 0.77 BRD4 (0.41) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL8318351 0.76 PSEN1 (0.47) BRD4CREBBPOPRL1DRD2DRD4
SCHEMBL8314425 0.74 KDM4E (0.40) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL8313437 0.74 ATM (0.43) BRD4CREBBPKDM4ERECQLOPRL1
SCHEMBL13545319 0.74 SLC40A1 (0.40) SLC40A1
SCHEMBL3288638 0.73 MMP13 (0.38) BRD4CREBBPSLC40A1OPRL1

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
WO-2011143444-A2 DIPHENYLBUTYPIPERIDINE AUTOPHAGY INDUCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-17 WO disclosed
US-5929072-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY LIMITED (GB) 1999-07-27 US disclosed
EP-0897921-A1 Benzothiadiazinyl-indole derivatives and their use as serotonin receptor ligands ELI LILLY AND COMPANY LIMITED (GB) 1999-02-24 EP disclosed
US-5504095-A Aminobenzosultam derivatives as lipoxygenase inhibitors PFIZER INC. (US) 1996-04-02 US disclosed
EP-0549666-B1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1994-11-23 EP disclosed
EP-0549666-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS. PFIZER (US) 1993-07-07 EP disclosed
WO-1992005164-A1 NOVEL AMINOBENZOSULTAM DERIVATIVES AS LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1992-04-02 WO disclosed