SCHEMBL1754863

SCHEMBL1754863

C=CCS(=O)(=O)[N]c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ NR3C1 P04150 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ DRD1 P21728 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ CCR2 P41597 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36

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
SCHEMBL6382915 0.80 TDP1 (0.43) ALDH1A1HPGDCYP1A2HSD17B10TDP1
SCHEMBL10534182 0.78 CYP1A2 (0.42) ALDH1A1HPGDCYP1A2HSD17B10TDP1
SCHEMBL6377841 0.75 TDP1 (0.40) ALDH1A1HPGDCYP1A2HSD17B10TDP1
SCHEMBL8985754 0.75 GABRA1 (0.36) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL5899067 0.74 CYP1A2 (0.44) ALDH1A1HPGDCYP1A2HSD17B10TDP1
SCHEMBL153241 0.72 CYP1A2 (0.46) ALDH1A1HPGDCYP1A2HSD17B10TDP1
SCHEMBL2915678 0.72 CYP1A2 (0.46) ALDH1A1HPGDCYP1A2HSD17B10TDP1
SCHEMBL8801626 0.72 ALDH1A1 (0.36) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL9683061 0.71 ALDH1A1 (0.58) ALDH1A1CYP1A2HSD17B10CYP3A4MAOA
SCHEMBL14394617 0.69 L3MBTL1 (0.45) ALDH1A1HPGDCYP1A2HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 — — EP claimed
EP-2054407-A2 PYROLIDINE DERIVATIVES USEFUL AGAINST DISEASES THAT DEPENDS ON ACTIVITY OF RENIN Novartis AG (CH) 2009-05-06 — — EP claimed
EP-2032530-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2009-03-11 — — EP claimed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 — — EP claimed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP claimed
WO-2007144129-A2 PYRROLIDINE DERIVATIVES USEFUL AGAINST DISEASES THAT DEPENDS ON ACTIVITY OF RENIN NOVARTIS AG (CH) 2007-12-21 — — WO claimed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 — — WO claimed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 — — WO claimed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — WO claimed
EP-2142535-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES Novartis Ag (CH) 2010-01-13 — — EP disclosed
EP-2079744-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS Novartis AG (CH) 2009-07-22 — — EP disclosed
EP-2054407-A2 PYROLIDINE DERIVATIVES USEFUL AGAINST DISEASES THAT DEPENDS ON ACTIVITY OF RENIN Novartis AG (CH) 2009-05-06 — — EP disclosed
EP-2032530-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS Novartis AG (CH) 2009-03-11 — — EP disclosed
WO-2008119741-A2 3-IMIDAZOLYL-INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2008-10-09 — — WO disclosed
WO-2008052733-A1 IMIDAZOPYRIDAZINES AS PI3K LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-05-08 — — WO disclosed
WO-2007144129-A2 PYRROLIDINE DERIVATIVES USEFUL AGAINST DISEASES THAT DEPENDS ON ACTIVITY OF RENIN NOVARTIS AG (CH) 2007-12-21 — — WO disclosed
WO-2007144128-A1 PYRROLIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-12-21 — — WO disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 — — EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 — — WO disclosed
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