SCHEMBL11337337

SCHEMBL11337337

COc1ccc(NC(=O)c2cc3ccccc3cc2O)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.76
KMT2A Q03164 9/20 0.76
NPC1 O15118 4/20 0.76
MAPT P10636 4/20 0.76
RAB9A P51151 3/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
KDM4E B2RXH2 3/20 0.70
MAPK1 P28482 2/20 0.70
NOD2 Q9HC29 1/20 0.70
ALDH1A1 P00352 2/20 0.68
CASP3 P42574 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
POLB P06746 3/20 0.63
MCL1 Q07820 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
TP53 P04637 1/20 0.61
CYP1A1 P04798 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP1B1 Q16678 1/20 0.59

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
SCHEMBL29440796 0.90 MEN1 (0.70) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL11094894 0.90 MEN1 (0.70) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL3317902 0.90 MEN1 (0.70) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29440795 0.90 MEN1 (0.70) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2045765 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29440790 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29742230 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29918462 0.88 KMT2A (0.79) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL11679799 0.87 NPC1 (0.74) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL10340630 0.87 KMT2A (0.67) MEN1KMT2ANPC1MAPTRAB9A

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
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7989498-B2 Immunosuppressants; autoimmune disease; organs transplantation; antiinflammatory agents; viricides; antiproliferative agents; antitumor, anticancer agents VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-08-02 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-7915255-B2 Metabolism-modulating agents and uses therefor VERVA PHARMACEUTICALS PTY LTD (AU) 2011-03-29 US disclosed
US-4284704-A Photographic elements with incorporated hydrogen source photoreductant and tetrazolium salt EASTMAN KODAK COMPANY (US) 1981-08-18 US disclosed
US-RE30267-E SEMIPERMEABLE MEMBRANE, THIN FILM EASTMAN KODAK COMPANY (US) 1980-05-06 US disclosed
US-4066403-A DECOMPOSITION, PERMEABLE BARRIERS EASTMAN KODAK COMPANY (US) 1978-01-03 US disclosed