SCHEMBL9447002

SCHEMBL9447002

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

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLO1 Q04760 6/20 0.69
▸ GLRA3 O75311 2/20 0.61
▸ MMP2 P08253 1/20 0.57
▸ HSP90AA1 P07900 1/20 0.56
▸ HSP90AB1 P08238 1/20 0.56
▸ SLC40A1 Q9NP59 6/20 0.56
▸ TDP1 Q9NUW8 5/20 0.56
▸ AGTR1 P30556 2/20 0.56
▸ NFKBIA P25963 2/20 0.56
▸ G6PD P11413 1/20 0.56
▸ METAP2 P50579 1/20 0.56
▸ METAP1 P53582 1/20 0.56
▸ PAX8 Q06710 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ KMT2A Q03164 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ MAPT P10636 2/20 0.53

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
SCHEMBL9447133 0.90 SLC40A1 (0.67) GLO1GLRA3SLC40A1TDP1AGTR1
SCHEMBL9447001 0.84 GLO1 (0.75) GLO1GLRA3MMP2HSP90AA1HSP90AB1
SCHEMBL9446954 0.84 SLC40A1 (0.70) GLO1SLC40A1TDP1AGTR1NFKBIA
SCHEMBL6978005 0.82 GLO1 (1.00) GLO1MMP2HSP90AA1HSP90AB1SLC40A1
SCHEMBL10653101 0.80 PIK3CA (0.56) GLO1MMP2HSP90AA1HSP90AB1SLC40A1
SCHEMBL9446966 0.80 GLRA3 (0.60) GLO1GLRA3MMP2HSP90AA1HSP90AB1
SCHEMBL9447020 0.78 GLO1 (0.55) GLO1GLRA3SLC40A1TDP1AGTR1
SCHEMBL9446955 0.77 GLO1 (0.54) GLO1GLRA3SLC40A1TDP1AGTR1
SCHEMBL6026017 0.74 RAB9A (0.64) TDP1KMT2AMEN1RAB9ANPC1
SCHEMBL9446973 0.74 SLC40A1 (0.73) GLO1SLC40A1TDP1AGTR1NFKBIA

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
Send feedback