SCHEMBL16617235

SCHEMBL16617235

Nc1ccc([N+](=O)[O-])c2c1C(=O)c1c(O)ccc(O)c1C2=O

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
TSHR P16473 3/20 0.80
CYP3A4 P08684 2/20 0.80
HIF1A Q16665 2/20 0.80
TP53 P04637 2/20 0.80
CSNK2A2 P19784 2/20 0.67
CSNK2B P67870 2/20 0.67
CSNK2A1 P68400 2/20 0.67
CSNK2A3 Q8NEV1 2/20 0.67
POLB P06746 2/20 0.64
MAPT P10636 1/20 0.64
APEX1 P27695 1/20 0.64
CASP6 P55212 1/20 0.64
MEN1 O00255 1/20 0.53
PABPC1 P11940 1/20 0.53
CSNK1A1 P48729 1/20 0.53
CSNK1D P48730 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL10356105 1.00 HPGD (0.80) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL11039315 1.00 HPGD (0.80) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL10400291 1.00 HPGD (0.80) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL11749574 0.89 TSHR (0.60) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL10356144 0.89 TSHR (1.00) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL10355816 0.89 TSHR (0.60) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL10356103 0.89 TSHR (1.00) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL11250084 0.89 TSHR (0.60) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL3501895 0.89 TSHR (1.00) HPGDSMN1; SMN2TSHRCYP3A4HIF1A
SCHEMBL186885 0.89 TSHR (1.00) HPGDSMN1; SMN2TSHRCYP3A4HIF1A

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-3527628-A1 ANTHRAQUINONE AZO DYES Huntsman Advanced Materials (Switzerland) GmbH (CH) 2019-08-21 EP disclosed
EP-2859051-B1 ANTHRAQUINONE AZO DYES HUNTSMAN ADV MAT SWITZERLAND (CH) 2019-04-17 EP disclosed
US-9546279-B2 Anthraquinone azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2017-01-17 US disclosed
US-20150096132-A1 Anthraquinone Azo Dyes HUNTSMAN INTERNATIONAL LLC 2015-04-09 US disclosed