SCHEMBL7300516

SCHEMBL7300516

Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 1.00
HPGD P15428 3/20 1.00
SMN1; SMN2 Q16637 4/20 0.78
KMT2A Q03164 5/20 0.71
ALDH1A1 P00352 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
MAPT P10636 5/20 0.63
LMNA P02545 3/20 0.63
MEN1 O00255 3/20 0.63
NFKB1 P19838 1/20 0.63
NFKB2 Q00653 1/20 0.63
RELA Q04206 1/20 0.63
MAPK1 P28482 3/20 0.62
ATM Q13315 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
GAA P10253 1/20 0.58
CYP1A2 P05177 2/20 0.57

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
SCHEMBL7294073 0.90 HTT (0.81) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL5376613 0.87 HTT (0.77) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL29961312 0.86 HTT (0.82) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL5648998 0.85 HTT (0.80) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL6396133 0.85 KMT2A (0.85) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL7301496 0.84 HTT (0.73) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL7301422 0.84 HTT (0.73) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL11764394 0.84 HTT (0.72) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL7304335 0.84 HTT (0.72) HTTHPGDSMN1; SMN2KMT2AALDH1A1
SCHEMBL7301679 0.83 HTT (0.71) HTTHPGDSMN1; SMN2KMT2AALDH1A1

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