SCHEMBL6932772

SCHEMBL6932772

Nc1ccc(O)c(-c2csc([N+](=O)[O-])c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.49
HSD17B10 Q99714 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAPK1 P28482 1/20 0.49
PTPRC P08575 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
THRB P10828 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 6/20 0.38
ALDH1A1 P00352 5/20 0.37
CYP3A4 P08684 3/20 0.37
TSHR P16473 2/20 0.37
PDE10A Q9Y233 1/20 0.36
PLCG2 P16885 1/20 0.36
MAPT P10636 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 3/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 2/20 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
SCHEMBL5704907 0.91 ALOX15 (0.47) ALOX15HSD17B10L3MBTL1MAPK1PTPRC
SCHEMBL6029637 0.75 ALDH1A1 (0.55) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL6136945 0.75 ALOX15 (0.50) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
Hydrochloric Acid SCHEMBL6777643 0.74 ALDH1A1 (0.53) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL6136824 0.73 ALOX15 (0.49) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
Hydrochloric Acid SCHEMBL7198371 0.73 ALOX15 (0.49) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL1382296 0.73 CA1 (0.46) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL1382823 0.73 PDE10A (0.50) ALOX15HSD17B10L3MBTL1MAPK1KMT2A
SCHEMBL5712477 0.72 GPR35 (0.38) ALOX15HSD17B10L3MBTL1MAPK1PTPRC
Hydrochloric Acid SCHEMBL6938367 0.72 PDE10A (0.48) ALOX15HSD17B10L3MBTL1MAPK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222166-B1 NOVEL P-AMINOPHENOLS AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2003-08-13 EP disclosed