SCHEMBL7790042

SCHEMBL7790042

CCOC(=O)c1cc([N+](=O)[O-])ccc1Br

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 5/20 0.50
ALDH1A1 P00352 3/20 0.49
MITF O75030 1/20 0.49
NPC1 O15118 1/20 0.49
KMT2A Q03164 2/20 0.48
CACNA1C Q13936 2/20 0.47
CACNA1F O60840 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
AR P10275 1/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL7791316 0.88 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1MITFNPC1
SCHEMBL7723906 0.86 SMN1; SMN2 (0.68) SMN1; SMN2MAPTALDH1A1NPC1KMT2A
SCHEMBL550516 0.85 SMN1; SMN2 (0.63) SMN1; SMN2MAPTALDH1A1NPC1KMT2A
SCHEMBL14114749 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTALDH1A1MITFNPC1
SCHEMBL2616927 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTALDH1A1NPC1KMT2A
SCHEMBL3299225 0.84 CA12 (0.62) SMN1; SMN2MAPTALDH1A1NPC1KMT2A
SCHEMBL7665374 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MAPTALDH1A1MITFNPC1
SCHEMBL527397 0.83 ALDH1A1 (0.52) MAPTALDH1A1NPC1KMT2AMEN1
SCHEMBL550921 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MAPTALDH1A1MITFNPC1
SCHEMBL4420346 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1NPC1KMT2A

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
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 WO disclosed
WO-2014167444-A1 SUBSTITUTED BICYCLIC COMPOUNDS AS mPGES-1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-10-16 WO disclosed
US-6251917-B1 Benzamidoaldehydes and their use as cysteine protease inhibitors BASF AKTIENGESELLSCHAFT (DE) 2001-06-26 US disclosed
US-5994544-A PRODUCING A 5H-CHROMENO(3,4-F)QUINOLINE LIGAND PHARMACEUTICALS INCORPORATED (US) 1999-11-30 US disclosed