SCHEMBL7295441

SCHEMBL7295441

CC(C)(C)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 1.00
KMT2A Q03164 7/20 1.00
MAPT P10636 7/20 1.00
SMN1; SMN2 Q16637 5/20 1.00
LMNA P02545 4/20 1.00
NPC1 O15118 3/20 1.00
RAB9A P51151 3/20 1.00
ALDH1A1 P00352 1/20 1.00
NFKB1 P19838 1/20 1.00
NFKB2 Q00653 1/20 1.00
RELA Q04206 1/20 1.00
POLB P06746 2/20 0.70
BLM P54132 1/20 0.70
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 1/20 0.67
KCNK9 Q9NPC2 1/20 0.66
HTT P42858 2/20 0.63
MAPK1 P28482 2/20 0.63
HPGD P15428 1/20 0.63
ATM Q13315 1/20 0.63

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
SCHEMBL13576560 0.94 MEN1 (0.88) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9329754 0.90 MEN1 (0.85) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8710919 0.87 MEN1 (0.80) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9800017 0.85 GAA (0.77) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL11572673 0.85 MEN1 (0.76) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6795867 0.84 MEN1 (0.85) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL13698359 0.84 MEN1 (0.91) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL9799681 0.84 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL11761506 0.84 MEN1 (0.72) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL1336235 0.83 MEN1 (0.74) MEN1KMT2AMAPTSMN1; SMN2LMNA

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