SCHEMBL6644571

SCHEMBL6644571

Cc1ccc(-c2csc3ncnc(NC4Cc5ccccc5C4)c23)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NOD2 Q9HC29 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.41
FGFR1 P11362 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6642610 0.81 FGFR1 (0.55) LMNAFGFR1MEN1KMT2AHTT
SCHEMBL1906554 0.81 RAB9A (0.60) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6645048 0.79 LMNA (0.45) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6642978 0.78 GBA1 (0.47) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6641883 0.78 SMN1; SMN2 (0.55) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL12392411 0.77 DYRK3 (0.57) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL6645137 0.75 RAB9A (0.44) LMNARAB9ARXFP1NOD2IRAK4
SCHEMBL3385307 0.74 TNF (0.68) LMNARAB9ARXFP1FGFR1MEN1
SCHEMBL2368364 0.71 MAPT (0.55) LMNAFGFR1MEN1KMT2AKDM4E
SCHEMBL6641938 0.71 CCR1 (0.42) LMNAFGFR1MEN1KMT2AHTT

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
EP-1018514-B1 NF-$g(k)B INHIBITORS CONTAINING INDAN DERIVATIVES AS THE ACTIVE INGREDIENT DAIICHI SUNTORY PHARMA CO LTD (JP) 2004-05-12 EP claimed
EP-1018514-A1 NF-$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