SCHEMBL9171990

SCHEMBL9171990

O=[C]c1cccc2nc([N+](=O)[O-])ccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
POLB P06746 2/20 0.35
KMT2A Q03164 7/20 0.35
MEN1 O00255 5/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
OPRK1 P41145 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 5/20 0.34
TDP1 Q9NUW8 3/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 2/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.33
GUSB P08236 2/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL31067260 0.77 ALDH1A1 (0.45) ALDH1A1NCOA1NCOA3POLBKMT2A
SCHEMBL10532542 0.77 ALDH1A1 (0.45) ALDH1A1NCOA1NCOA3POLBKMT2A
SCHEMBL11276512 0.75 ALDH1A1 (0.44) ALDH1A1NCOA1NCOA3POLBKMT2A
SCHEMBL8567206 0.70 HTT (0.45) ALDH1A1NCOA3POLBKMT2AMEN1
SCHEMBL371826 0.70 RAB9A (0.53) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL4872767 0.69 TSHR (0.47) ALDH1A1KMT2AMEN1GAAMAPT
Hydrochloric Acid SCHEMBL27441126 0.68 RAB9A (0.51) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL3294386 0.68 TSHR (0.46) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL28748533 0.67 POLB (0.51) ALDH1A1NCOA1NCOA3POLBKDM4E
SCHEMBL11594465 0.67 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0355586-B1 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL CO (JP) 1995-04-05 EP disclosed
US-5266696-A Colorfast dyes, dyeing, printing and dyed fibers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-30 US disclosed
US-5112971-A ANTHRAQUINONE DYE COMPOUNDS HAVING FIBERS REACTIVE GROUP SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-12 US disclosed
EP-0355586-A2 Anthraquinone dye compounds having fibers reactive group SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-02-28 EP disclosed
EP-0338310-A1 Reactive dyes BAYER AG (DE) 1989-10-25 EP disclosed
EP-0321784-A2 Formazane dyes containing heavy metals, process for their preparation and their use in dyeing and printing fibrous materials BAYER AG (DE) 1989-06-28 EP disclosed