SCHEMBL20537209

SCHEMBL20537209

C[C@@](O)(Cn1cncn1)c1ccc(Oc2ccc(Br)cc2)nc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 10/20 0.37
CYP2C9 P11712 7/20 0.37
CYP2C19 P33261 7/20 0.37
HSP90AA1 P07900 2/20 0.37
LMNA P02545 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ADRA1A P35348 1/20 0.37
CYP51A1 Q16850 1/20 0.37
AR P10275 1/20 0.35
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP3A5 P20815 1/20 0.32
CYP3A7 P24462 1/20 0.32
MAPK1 P28482 1/20 0.32
CYP3A43 Q9HB55 1/20 0.32
CYP46A1 Q9Y6A2 1/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL29354915 1.00 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20537217 1.00 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20471552 1.00 CYP3A4 (0.37) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20597170 0.91 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20597452 0.91 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20597246 0.91 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL18542630 0.90 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20537234 0.90 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20537212 0.90 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA
SCHEMBL20613019 0.90 HSP90AA1 (0.43) CYP3A4CYP2C9CYP2C19HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3620052-A1 USE OF PHENOXYPYRIDINYL-SUBSTITUTED (1H-1,2,4-TRIAZOL-1-YL)ALCOHOLS FOR CONTROLLING FUNGICIDAL DISEASES IN MAIZE Bayer Aktiengesellschaft (DE) 2020-03-11 EP claimed
EP-3391747-A1 USE OF PHENOXYPYRIDINYL-SUBSTITUTED (1H-1,2,4-TRIAZOL-1-YL)ALCOHOLS FOR ENHANCING CROP PERFORMANCE Bayer AG (DE) 2018-10-24 EP claimed
EP-3852532-A1 USE OF THE FUNGICIDE ISOFLUCYPRAM FOR CONTROLLING CLAVICEPS PURPUREA AND REDUCING SCLEROTIA IN CEREALS Bayer Aktiengesellschaft (DE) 2021-07-28 EP disclosed
EP-3679792-A1 ACTIVE COMPOUND COMBINATIONS Bayer AG (DE) 2020-07-15 EP disclosed
EP-3679793-A1 ACTIVE COMPOUND COMBINATIONS Bayer AG (DE) 2020-07-15 EP disclosed
EP-3679789-A1 ACTIVE COMPOUND COMBINATIONS Bayer AG (DE) 2020-07-15 EP disclosed
EP-3679791-A1 ACTIVE COMPOUND COMBINATIONS Bayer AG (DE) 2020-07-15 EP disclosed
EP-3679790-A1 ACTIVE COMPOUND COMBINATIONS Bayer AG (DE) 2020-07-15 EP disclosed
WO-2020078942-A1 METHOD TO CONTROL SEPTORIA TRITICI RESISTANT TO C14-DEMETHYLASE INHIBITOR FUNGICIDES BASF Agro B.V. (NL) 2020-04-23 WO disclosed
WO-2020057939-A1 USE OF THE FUNGICIDE ISOFLUCYPRAM FOR CONTROLLING CLAVICEPS PURPUREA AND REDUCING SCLEROTIA IN CEREALS BAYER AKTIENGESELLSCHAFT (DE) 2020-03-26 WO disclosed
EP-3620052-A1 USE OF PHENOXYPYRIDINYL-SUBSTITUTED (1H-1,2,4-TRIAZOL-1-YL)ALCOHOLS FOR CONTROLLING FUNGICIDAL DISEASES IN MAIZE Bayer Aktiengesellschaft (DE) 2020-03-11 EP disclosed
EP-3391747-A1 USE OF PHENOXYPYRIDINYL-SUBSTITUTED (1H-1,2,4-TRIAZOL-1-YL)ALCOHOLS FOR ENHANCING CROP PERFORMANCE Bayer AG (DE) 2018-10-24 EP disclosed