SCHEMBL7300836

SCHEMBL7300836

CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.71
MAPT P10636 8/20 0.71
NPC1 O15118 7/20 0.71
KMT2A Q03164 6/20 0.71
MEN1 O00255 5/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
LMNA P02545 3/20 0.71
ALDH1A1 P00352 2/20 0.71
NFKB1 P19838 1/20 0.71
NFKB2 Q00653 1/20 0.71
RELA Q04206 1/20 0.71
MITF O75030 2/20 0.68
POLB P06746 2/20 0.68
HTT P42858 2/20 0.65
ATM Q13315 2/20 0.65
MAPK1 P28482 2/20 0.65
HPGD P15428 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
HDAC3 O15379 1/20 0.65
HDAC11 Q96DB2 1/20 0.65

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
SCHEMBL7296723 1.00 RAB9A (0.71) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL1687869 1.00 RAB9A (0.71) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL23898948 0.89 KMT2A (0.83) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL9134339 0.89 KMT2A (0.83) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL8572381 0.89 KMT2A (0.83) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL2350357 0.86 MAPT (0.77) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL15149939 0.86 MAPT (0.55) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL7303163 0.85 HDAC3 (0.86) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL11972898 0.85 RAB9A (0.68) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL13428706 0.85 RAB9A (0.68) RAB9AMAPTNPC1KMT2AMEN1

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-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