SCHEMBL7303682

SCHEMBL7303682

CC(C)(C)c1ccc(C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 7/20 0.61
ALDH1A1 P00352 7/20 0.61
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
LMNA P02545 5/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
HTT P42858 2/20 0.60
HPGD P15428 2/20 0.60
MAPK1 P28482 4/20 0.53
ATM Q13315 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
GLA P06280 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.50
CASP3 P42574 1/20 0.48

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
SCHEMBL7301679 0.84 HTT (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7292348 0.83 RAB9A (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL12933205 0.81 HTT (0.48) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7295317 0.80 NR1H4 (0.58) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7292242 0.78 RAB9A (0.69) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1275465 0.78 MEN1 (0.48) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7296723 0.77 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1687869 0.77 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7300836 0.77 RAB9A (0.71) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2346973 0.76 MAPT (0.62) RAB9ANPC1ALDH1A1MAPTSMN1; SMN2

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