SCHEMBL10707915

SCHEMBL10707915

COc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1N

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.61
▸ TDP1 Q9NUW8 4/20 0.56
▸ MAPT P10636 6/20 0.49
▸ RECQL P46063 2/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ CTSV O60911 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ GFER P55789 2/20 0.47
▸ ATM Q13315 1/20 0.47
▸ ANO1 Q5XXA6 1/20 0.46
▸ ANO2 Q9NQ90 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 3/20 0.46

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
SCHEMBL10706902 0.92 NT5E (0.62) NT5ETDP1MAPTRECQLDUSP3
SCHEMBL10764748 0.90 TDP1 (0.58) NT5ETDP1MAPTRECQLDUSP3
SCHEMBL11110261 0.86 NT5E (0.69) NT5ETDP1MAPTRECQLCTSV
SCHEMBL10880062 0.85 NT5E (0.65) NT5ETDP1MAPTRECQLMEN1
SCHEMBL11104382 0.85 NT5E (0.70) NT5ETDP1MAPTRECQLCTSV
SCHEMBL10881471 0.84 NT5E (0.66) NT5ETDP1MAPTRECQLMEN1
SCHEMBL10882284 0.83 NT5E (0.65) NT5ETDP1MAPTRECQLMEN1
SCHEMBL10708423 0.81 NT5E (0.66) NT5ETDP1MAPTRECQLMEN1
SCHEMBL10883556 0.81 TDP1 (0.59) TDP1MAPTALDH1A1L3MBTL1MAPK1
SCHEMBL2032113 0.81 NT5E (0.85) NT5ETDP1MAPTRECQLCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126378-B1 PREPARATION PROCESS OF ACID NITRO DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-09 — — EP claimed
US-4599450-A Process for the preparation of acid nitro dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-08 — — US claimed
EP-0126378-A1 Preparation process of acid nitro dyes HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-28 — — EP claimed
EP-0165483-B1 PROCESS FOR THE MANUFATURE OF ACID NITRO DYES HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-30 — — EP disclosed
EP-0126378-B1 PREPARATION PROCESS OF ACID NITRO DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-09 — — EP disclosed
US-4599450-A Process for the preparation of acid nitro dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1986-07-08 — — US disclosed
EP-0165483-A2 Process for the manufature of acid nitro dyes HOECHST AKTIENGESELLSCHAFT (DE) 1985-12-27 — — EP disclosed
EP-0126378-A1 Preparation process of acid nitro dyes HOECHST AKTIENGESELLSCHAFT (DE) 1984-11-28 — — EP disclosed
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