SCHEMBL9770348

SCHEMBL9770348

O=C(Cl)COc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MAPT P10636 4/20 0.53
MEN1 O00255 3/20 0.53
KDM4E B2RXH2 2/20 0.53
LMNA P02545 2/20 0.53
PKM P14618 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 4/20 0.48
HSPB1 P04792 3/20 0.48
CYP1A2 P05177 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
GPR35 Q9HC97 1/20 0.47
TTR P02766 3/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10544758 0.88 PTGDR2 (0.52) KMT2AMAPTMEN1LMNAPTGDR2
SCHEMBL10788762 0.86 MEN1 (0.66) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9722709 0.85 MAPT (0.63) KMT2AMAPTMEN1LMNAPKM
SCHEMBL9722784 0.85 KDM4E (0.64) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL9770414 0.84 PTGDR2 (0.49) KMT2AMAPTMEN1LMNAPKM
SCHEMBL9770543 0.84 ALDH1A1 (0.49) KMT2AMAPTMEN1LMNAPTGDR2
SCHEMBL3032437 0.83 MEN1 (0.51) KMT2AMAPTMEN1KDM4ELMNA
SCHEMBL6928011 0.82 KMT2A (0.53) KMT2AMAPTMEN1LMNAPKM
SCHEMBL5396606 0.82 KMT2A (0.53) KMT2AMAPTMEN1LMNAPKM
SCHEMBL10504393 0.82 PTGS2 (0.54) KMT2AMAPTMEN1KDM4ELMNA

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-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0163854-B1 PROCESS FOR THE ELIMINATION OF FLUORESCENCE AND CATIONIC OR AMPHOTERIC AROMATIC NITRO COMPOUNDS BAYER AG (DE) 1991-02-27 EP disclosed
US-4695405-A Process for quenching fluorescence, and new cationic or amphoteric aromatic nitro compounds BAYER AKTIENGESELLSCHAFT (DE) 1987-09-22 US disclosed
EP-0163854-A2 Process for the elimination of fluorescence and cationic or amphoteric aromatic nitro compounds BAYER AG (DE) 1985-12-11 EP disclosed