SCHEMBL7815641

SCHEMBL7815641

Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc2c(C(C)(C)O)c(C)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
LMNA P02545 4/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 6/20 0.40
MITF O75030 1/20 0.40
PDK1 Q15118 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK3 Q15120 1/20 0.40
PDK4 Q16654 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL7824877 0.84 MAPT (0.39) L3MBTL1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL8799546 0.83 ALDH1A1 (0.39) L3MBTL1SMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL7827083 0.83 TYK2 (0.47) L3MBTL1SMN1; SMN2RAB9ALMNAPOLB
SCHEMBL7817437 0.83 ALDH1A1 (0.39) L3MBTL1SMN1; SMN2MAPK1LMNAPOLB
SCHEMBL7824213 0.79 RAB9A (0.41) L3MBTL1SMN1; SMN2RAB9ANPC1CRHBP
SCHEMBL8808952 0.79 CRHBP (0.43) TDP1L3MBTL1SMN1; SMN2MAPK1RAB9A
SCHEMBL16583563 0.78 TDP1 (0.60) TDP1L3MBTL1SMN1; SMN2MAPK1RAB9A
SCHEMBL7816325 0.76 MAOB (0.38) L3MBTL1SMN1; SMN2RAB9ANPC1GAA
SCHEMBL7827508 0.76 GPR35 (0.50) SMN1; SMN2MAPK1ALDH1A1PDK1PDK2
SCHEMBL8799382 0.76 TYK2 (0.37) SMN1; SMN2RAB9ALMNAALDH1A1MAPT

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
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
EP-0730595-A4 IMIDAZOLINOBENZODIAZEPINES MERCK & CO INC (US) 1997-07-16 EP disclosed
EP-0730595-A1 IMIDAZOLINOBENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 WO disclosed