SCHEMBL6640948

SCHEMBL6640948

Cc1csc2c(NC3Cc4ccccc4C3)ncnc12

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.60
LPAR2 Q9HBW0 4/20 0.47
MAPK1 P28482 1/20 0.42
LPAR1 Q92633 1/20 0.41
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NOD2 Q9HC29 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL29116263 0.83 MAPT (0.65) MAPTLPAR2LPAR1NPC1PKM
SCHEMBL29116287 0.80 MAPT (0.61) MAPTLPAR2LPAR1NPC1PKM
SCHEMBL1906554 0.79 RAB9A (0.60) MAPTMAPK1PKMLMNARAB9A
SCHEMBL6644312 0.74 IRAK4 (0.60)
SCHEMBL29116330 0.73 MAPT (0.51) MAPTLPAR2MAPK1LPAR1LMNA
SCHEMBL6644125 0.73 HRH4 (0.43)
SCHEMBL30808040 0.72 NPC1 (0.47) MAPTLPAR2MAPK1LPAR1NPC1
SCHEMBL19933208 0.72 NPC1 (0.47) MAPTLPAR2MAPK1LPAR1NPC1
SCHEMBL6641156 0.71 PI4KA (0.39)
SCHEMBL23579983 0.71 NPC1 (0.52) MAPTLPAR2MAPK1LPAR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP claimed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US claimed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP claimed
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP disclosed
US-6734180-B1 NF-κB inhibitor comprising an indan derivative as an active ingredient DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-05-11 US disclosed
US-6703421-B1 ADMINISTERING NF-KAPPA B INHIBITOR DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-09 US disclosed
EP-1132093-A1 PREVENTIVES OR REMEDIES FOR MYOCARDITIS, DILATED CARDIOMYOPATHY AND CARDIAC INSUFFICIENCY CONTAINING NF-KAPPA B INHIBITORS AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2001-09-12 EP disclosed
EP-1018514-A1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT SUNTORY LIMITED (JP) 2000-07-12 EP disclosed