SCHEMBL6924340

SCHEMBL6924340

COC(=O)c1ccccc1C(c1oc(=O)c2ccccc2c1O)c1c(O)c2ccccc2oc1=O.O=C(O)c1ccccc1C(c1oc(=O)c2ccccc2c1O)c1c(O)c2ccccc2oc1=O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 8/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP2C9 P11712 1/20 0.47
CRHBP P24387 1/20 0.47
CASP7 P55210 1/20 0.47
CASP6 P55212 1/20 0.47
CRHR2 Q13324 1/20 0.47
HIF1A Q16665 1/20 0.47
TOP1 P11387 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL4960324 0.96 NQO1 (0.57) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4958904 0.92 MEN1 (0.57) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4959579 0.85 ADORA3 (0.60) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL5107208 0.84 ADORA3 (0.53) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4960715 0.82 ADORA3 (0.51) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL4960881 0.80 NQO1 (0.60) NQO1MEN1KMT2ACYP2C9CRHBP
SCHEMBL7219960 0.79 NQO1 (0.44) NQO1MEN1KMT2ACYP2C9ADORA3
SCHEMBL4962535 0.78 NQO1 (0.58) NQO1CYP2C9CRHBPCASP7CASP6
SCHEMBL8868322 0.77 VKORC1 (0.69) NQO1MEN1KMT2ACYP2C9NFKB1
SCHEMBL1649145 0.75 ADORA3 (0.65) NQO1MEN1KMT2ACYP2C9CRHBP

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
EP-1383756-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS Arxy Therapeutics (US) 2004-01-28 EP disclosed
WO-2002085882-A1 COUMARIN DERIVATIVES TO BE USED AS ANTICOAGULANTS ARXY THERAPEUTICS (US) 2002-10-31 WO disclosed