SCHEMBL12368166

SCHEMBL12368166

COc1ccccc1NC(=O)c1cccc(OC)c1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
METAP2 P50579 1/20 0.67
TSHR P16473 3/20 0.65
HSD17B10 Q99714 2/20 0.65
RAB9A P51151 2/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KLKB1 P03952 1/20 0.62
MAPT P10636 2/20 0.61
GAA P10253 2/20 0.61
MAPK1 P28482 1/20 0.61
MEN1 O00255 3/20 0.59
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58

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
SCHEMBL8918389 0.91 KMT2A (0.67) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL12368122 0.87 KMT2A (0.79) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL18330599 0.87 KLKB1 (0.58) KMT2ATSHRHSD17B10RAB9ASMN1; SMN2
SCHEMBL12368164 0.86 KMT2A (0.64) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL12368159 0.86 KMT2A (0.77) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL7162767 0.84 CRHBP (0.73) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL6802094 0.83 KMT2A (1.00) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL11784909 0.83 KMT2A (0.72) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL2949130 0.83 KMT2A (0.72) KMT2AMETAP2TSHRHSD17B10RAB9A
SCHEMBL30758630 0.83 KMT2A (0.72) KMT2AMETAP2TSHRHSD17B10RAB9A

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-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