SCHEMBL7444129

SCHEMBL7444129

CCc1c([N+](=O)[O-])ccc(N)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 7/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FBP1 P09467 3/20 0.44
MAPK1 P28482 1/20 0.43
TSHR P16473 3/20 0.42
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CASP6 P55212 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
HCAR3 P49019 1/20 0.38

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
SCHEMBL24320056 0.81 TDP1 (0.44) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL6036699 0.80 ALDH1A1 (0.47) LMNAMAPTALDH1A1TDP1TSHR
SCHEMBL11644545 0.80 LMNA (0.56) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL6137884 0.79 LMNA (0.51) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL7447014 0.79 TDP1 (0.51) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL2337048 0.78 POLB (0.47) LMNAMAPTALDH1A1TDP1MAPK1
SCHEMBL9206967 0.78 TSHR (0.44) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL9206958 0.78 TSHR (0.44) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL28842313 0.78 TDP1 (0.50) LMNAMAPTALDH1A1TDP1L3MBTL1
SCHEMBL6834458 0.77 ALDH1A1 (0.45) LMNAMAPTALDH1A1TDP1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741715-B1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE STANFORD RES INST INT (US) 1998-08-26 EP disclosed
EP-0741715-A1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1996-11-13 EP disclosed
WO-1995020581-A1 NOVEL HUMAN LEUKOCYTE ELASTASE (HLE) INHIBITORS, AND RELATED PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE SRI INTERNATIONAL (US) 1995-08-03 WO disclosed
US-5428021-A Administering to inhibit serine proteases SRI INTERNATIONAL (US) 1995-06-27 US disclosed