SCHEMBL10691472

SCHEMBL10691472

C=C(N)CN1C(=O)C(c2ccccc2)Oc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
F10 P00742 15/20 0.49
PRSS1 P07477 10/20 0.48
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
F2 P00734 9/20 0.44
PLG P00747 5/20 0.44
ADK P55263 2/20 0.43
PROC P04070 1/20 0.42
GSK3B P49841 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7116531 0.76 F10 (0.62) F10PRSS1F2PLGPROC
SCHEMBL7116570 0.75 F10 (0.56) KMT2AF10PRSS1F2PLG
SCHEMBL7125761 0.75 F10 (0.71) F10PRSS1F2PLGPROC
SCHEMBL7122915 0.74 F10 (0.58) KMT2AF10PRSS1F2PLG
SCHEMBL7122953 0.74 F10 (0.58) KMT2AF10ALDH1A1L3MBTL1ADK
SCHEMBL7124635 0.73 F10 (0.55) KMT2AF10PRSS1F2PLG
SCHEMBL7121510 0.73 F10 (0.64) KMT2AF10PRSS1F2PLG
SCHEMBL7114475 0.73 F10 (0.61) F10PRSS1F2PLGPROC
SCHEMBL7123929 0.72 F10 (0.66) KMT2AF10PRSS1F2PLG
SCHEMBL7122745 0.71 F10 (0.58) KMT2AF10PRSS1ALDH1A1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4789675-A HYPOTENSIVE, ANTIISCHEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-12-06 US disclosed
EP-0233728-A1 1,4-Benzoxazine derivatives their production and use Takeda Chemical Industries, Ltd. (JP) 1987-08-26 EP disclosed