SCHEMBL9447133

SCHEMBL9447133

O=S(=O)(Nc1ccccc1COc1cccc2cccnc12)c1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.67
▸ GLO1 Q04760 7/20 0.55
▸ TDP1 Q9NUW8 5/20 0.55
▸ AGTR1 P30556 2/20 0.55
▸ NFKBIA P25963 2/20 0.55
▸ G6PD P11413 1/20 0.55
▸ METAP2 P50579 1/20 0.55
▸ METAP1 P53582 1/20 0.55
▸ PAX8 Q06710 1/20 0.55
▸ ATM Q13315 1/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MITF O75030 1/20 0.52
▸ S1PR4 O95977 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ S1PR1 P21453 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ HTT P42858 1/20 0.52

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
SCHEMBL9447002 0.90 GLO1 (0.69) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL9446973 0.84 SLC40A1 (0.73) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL6981081 0.81 SLC40A1 (1.00) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL30925586 0.81 SLC40A1 (1.00) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL9446954 0.81 SLC40A1 (0.70) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL9446961 0.80 MAPT (0.57) SLC40A1GLO1KMT2AMEN1ALDH1A1
SCHEMBL9447020 0.80 GLO1 (0.55) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL10652944 0.79 SLC40A1 (0.53) SLC40A1GLO1TDP1KMT2AMEN1
SCHEMBL13485929 0.78 SLC40A1 (0.92) SLC40A1GLO1TDP1AGTR1NFKBIA
SCHEMBL9446955 0.77 GLO1 (0.54) SLC40A1GLO1TDP1AGTR1NFKBIA

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
US-5202336-A Lipoxygenase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 1993-04-13 — — US disclosed
US-5093340-A Lipoxygenase enzyme inhibitors, antithrombolytic agents BAYER AKTIENGESELLSCHAFT (DE) 1992-03-03 — — US disclosed
US-5070096-A ANTICOAGULANTS, LIPOXYGENASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1991-12-03 — — US disclosed
EP-0261539-A2 Substituted phenyl-sulphon amides BAYER AG (DE) 1988-03-30 — — EP disclosed
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