SCHEMBL11257945

SCHEMBL11257945

Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C1(c2ccc(N(C)C)cc2N(C)C)OC(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCNB2 O95067 3/20 0.38
CDK1 P06493 3/20 0.38
CCNB1 P14635 3/20 0.38
GSK3B P49841 3/20 0.38
CDK5 Q00535 3/20 0.38
CDK5R1 Q15078 3/20 0.38
CCNB3 Q8WWL7 3/20 0.38
CSF1R P07333 2/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38
IKBKB O14920 1/20 0.38
PDPK1 O15530 1/20 0.38
ROCK2 O75116 1/20 0.38
MAP4K4 O95819 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
SCHEMBL11251422 0.87 LMNA (0.43) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11244641 0.86 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11259480 0.85 ALDH1A1 (0.40) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL5147481 0.78 MAPT (0.47) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL31715256 0.76 LMNA (0.42) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL10528872 0.76 LMNA (0.42) ALDH1A1CYP3A4HPGDHSD17B10TDP1
SCHEMBL7007875 0.76 TDP1 (0.59) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11264471 0.75 HPGD (0.43) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL11244074 0.74 MAPT (0.42) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL29383061 0.72 ALDH1A1 (0.51) ALDH1A1CYP3A4HPGDHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351768-A CARBONLESS, DUPLICATION, INDOLE DYES STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4251446-A COLOR PRECURSORS STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed