SCHEMBL7301679

SCHEMBL7301679

CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.71
HPGD P15428 2/20 0.71
RAB9A P51151 10/20 0.62
NPC1 O15118 9/20 0.62
MAPT P10636 8/20 0.62
ALDH1A1 P00352 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
LMNA P02545 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
RELA Q04206 1/20 0.62
GLA P06280 2/20 0.59
ATM Q13315 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MAPK1 P28482 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
AURKA O14965 1/20 0.56
PDPK1 O15530 1/20 0.56

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
SCHEMBL30492664 0.91 MAPT (0.65) HTTHPGDRAB9ANPC1MAPT
SCHEMBL30492667 0.91 MAPT (0.65) HTTHPGDRAB9ANPC1MAPT
SCHEMBL11469609 0.91 MAPT (0.65) HTTHPGDRAB9ANPC1MAPT
SCHEMBL2346973 0.88 MAPT (0.62) HTTHPGDRAB9ANPC1MAPT
SCHEMBL7301422 0.86 HTT (0.73) HTTHPGDRAB9ANPC1MAPT
SCHEMBL7301496 0.86 HTT (0.73) HTTHPGDRAB9ANPC1MAPT
SCHEMBL7294073 0.86 HTT (0.81) HTTHPGDRAB9ANPC1MAPT
SCHEMBL7301504 0.85 HTT (0.71) HTTHPGDRAB9ANPC1MAPT
SCHEMBL16147352 0.84 KMT2A (0.73) HTTHPGDRAB9ANPC1MAPT
SCHEMBL22007919 0.84 KMT2A (0.65) HTTRAB9ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed