SCHEMBL2167282

SCHEMBL2167282

O=C(Sc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1C(=O)O)c1cc(-c2ccc([N+](=O)[O-])cc2)ccc1S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
SRD5A2 P31213 1/20 0.36
LDHA P00338 2/20 0.36
LDHB P07195 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 2/20 0.35
EIF4E P06730 1/20 0.35

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
SCHEMBL3480944 0.90 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL11229565 0.75 TDP1 (0.57) ALDH1A1TDP1POLBMAPK1CYP3A4
SCHEMBL6510484 0.73 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL4829731 0.72 TDP1 (0.66) ALDH1A1TDP1POLBMAPK1CYP3A4
SCHEMBL6425009 0.72 EIF4E (0.56) ALDH1A1TDP1POLBMAPK1CYP3A4
SCHEMBL6850686 0.69 HNF4A (0.64) ALDH1A1TDP1POLBMAPK1CYP3A4
SCHEMBL3464421 0.69 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL4639794 0.69 ALDH1A1 (0.57) ALDH1A1TDP1CYP3A4ALOX15SMN1; SMN2
SCHEMBL1761421 0.68 TDP1 (0.53) ALDH1A1TDP1POLBMAPK1CYP3A4
SCHEMBL1761340 0.68 KMT2A (0.55) ALDH1A1TDP1POLBMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2243805-B1 ANTHRAPYRIDONE COMPOUND OR SALT THEREOF, MAGENTA INK COMPOSITION CONTAINING THE ANTHRAPYRIDONE COMPOUND, AND COLORED BODY NIPPON KAYAKU KK (JP) 2014-11-26 EP disclosed
US-7985287-B2 Anthrapyridone compound or a salt thereof, magenta ink composition containing the anthrapyridone compound and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed