SCHEMBL8799712

SCHEMBL8799712

CCc1oc2c(NC(=O)c3c(Cl)ccc([N+](=O)[O-])c3Cl)cccc2c1C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.38
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR35 Q9HC97 1/20 0.35
PHGDH O43175 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL7827125 0.87 MAPT (0.43) RORCLMNAMAPTHTTNPC1
SCHEMBL8798812 0.85 MEN1 (0.40) MAPTHTTNPC1RAB9AGPR35
SCHEMBL7830415 0.81 POLB (0.41) RORCLMNAMAPTNPC1MAPK1
SCHEMBL7831524 0.77 MAPT (0.48) RORCLMNAMAPTHTTMAPK1
SCHEMBL8800344 0.74 EYA3 (0.44) LMNANPC1RAB9AGPR35
SCHEMBL7828909 0.73 THRB (0.44) LMNAMAPTHTTNPC1MAPK1
SCHEMBL8342148 0.71 MAPT (0.44) LMNAMAPTNPC1GPR35ALDH1A1
SCHEMBL7816589 0.71 MAPT (0.44) LMNAMAPTNPC1GPR35ALDH1A1
SCHEMBL7826306 0.70 GAA (0.45) LMNAMAPTHTTNPC1RAB9A
SCHEMBL5725938 0.70 TDP1 (0.58) LMNAMAPTHTTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed