SCHEMBL8746877

SCHEMBL8746877

Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ NT5E P21589 2/20 0.47
▸ RAD51 Q06609 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ APP P05067 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RHOA P61586 1/20 0.40
▸ NFKB1 P19838 1/20 0.40

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
SCHEMBL8746878 1.00 PTGS2 (0.48) PTGS2PTGS1NT5ERAD51MEN1
SCHEMBL9356828 0.92 NT5E (0.56) PTGS2PTGS1NT5ERAD51MEN1
SCHEMBL9356837 0.92 NT5E (0.56) PTGS2PTGS1NT5ERAD51MEN1
SCHEMBL1399781 0.92 PTGS2 (0.56) PTGS2PTGS1NT5ERAD51MEN1
SCHEMBL9360466 0.92 PTGS2 (0.56) PTGS2PTGS1NT5ERAD51MEN1
SCHEMBL1536243 0.91 NT5E (0.56) NT5ERAD51MEN1KMT2ALMNA
SCHEMBL29692725 0.91 NT5E (0.56) NT5ERAD51MEN1KMT2ALMNA
SCHEMBL1536241 0.91 NT5E (0.56) NT5ERAD51MEN1KMT2ALMNA
SCHEMBL15859262 0.89 NT5E (0.55) NT5ERAD51MEN1KMT2ALMNA
SCHEMBL2391190 0.89 NT5E (0.55) NT5ERAD51MEN1KMT2ALMNA

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-0498217-B1 Dyes for polarising films and films made thereof BAYER AG (DE) 1997-03-05 — — EP disclosed
EP-0376032-B1 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1994-11-23 — — EP disclosed
US-5340504-A Water soluble polymer containing bis-, tris- or tetrakis-azo dyes BAYER AG (DE) 1994-08-23 — — US disclosed
US-5272259-A Stilbene dyestuffs and light-polarizing films or sheets containing stilbene BAYER AKTIENGESELLSCHAFT (DE) 1993-12-21 — — US disclosed
EP-0498217-A1 Dyes for polarising films and films made thereof BAYER AG (DE) 1992-08-12 — — EP disclosed
EP-0376032-A2 Stilbene dyes and films or sheets containing the same BAYER AG (DE) 1990-07-04 — — EP disclosed
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