SCHEMBL6928945

SCHEMBL6928945

O=C1NC(=O)/C(=C\c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)S1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.64
PTPN1 P18031 3/20 0.56
PPARG P37231 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
GSK3B P49841 1/20 0.54
CASP3 P42574 2/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
AKR1B1 P15121 1/20 0.50
XDH P47989 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
CASP2 P42575 1/20 0.50
CASP7 P55210 1/20 0.50
CASP6 P55212 1/20 0.50
CASP8 Q14790 1/20 0.50

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
SCHEMBL6928947 1.00 IGF1R (0.64) IGF1RPTPN1PPARGHDAC4HDAC8
SCHEMBL6928856 0.85 AKR1B1 (0.60) IGF1RHDAC4HDAC8GSK3BAKR1B1
SCHEMBL6928853 0.85 AKR1B1 (0.60) IGF1RHDAC4HDAC8GSK3BAKR1B1
SCHEMBL13846818 0.79 IGF1R (1.00) IGF1RGSK3BCASP3MEN1MAPT
SCHEMBL1250596 0.79 IGF1R (1.00) IGF1RGSK3BCASP3MEN1MAPT
SCHEMBL1250598 0.79 IGF1R (1.00) IGF1RGSK3BCASP3MEN1MAPT
SCHEMBL6929933 0.79 KMT2A (0.51) PTPN1HDAC4HDAC8MEN1MAPT
SCHEMBL6929936 0.79 KMT2A (0.51) PTPN1HDAC4HDAC8MEN1MAPT
SCHEMBL6927082 0.78 NAMPT (0.51) PTPN1PPARGHDAC4HDAC8MEN1
SCHEMBL6927181 0.78 MEN1 (0.52) PTPN1HDAC4MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518268-B1 Telomerase inhibitors and methods of their use GERON CORPORATION 2003-02-11 US disclosed
WO-2001002377-A9 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORP (US) 2001-10-11 WO disclosed
EP-1109796-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE Geron Corporation (US) 2001-06-27 EP disclosed
WO-2001002377-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2001-01-11 WO disclosed