SCHEMBL7990137

SCHEMBL7990137

O=C(O)C(Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1)c1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK9 P45984 1/20 0.46
SIRT2 Q8IXJ6 12/20 0.42
EDNRA P25101 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KIF11 P52732 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
PTGFR P43088 2/20 0.38

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
SCHEMBL7986471 0.90 EDNRA (0.54) SIRT2EDNRA
SCHEMBL7990492 0.89 SIRT2 (0.44) SIRT2EDNRA
SCHEMBL8808383 0.80 SIRT2 (0.46) SIRT2
SCHEMBL7990231 0.76 NMBR (0.54) CYP1A2CYP2C9CYP2C19
SCHEMBL7975875 0.74 MAPK9 (0.61) MAPK9EDNRACYP1A2CYP2C9CYP2C19
SCHEMBL2003419 0.73 SIRT2 (0.50) SIRT2
SCHEMBL2003418 0.73 SIRT2 (0.50) SIRT2
SCHEMBL1997674 0.72 SIRT2 (0.52) SIRT2
SCHEMBL21690129 0.72 SIRT2 (0.49) SIRT2CYP1A2KIF11
SCHEMBL6773700 0.72 SIRT2 (0.49) SIRT2CYP1A2KIF11

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-6207686-B1 FOR THERAPY OF HYPERTENSION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
WO-1996015109-A1 ENDOTHELIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-23 WO disclosed