SCHEMBL5147003

SCHEMBL5147003

CCc1nn(C)cc1OC(=O)Nc1ccccc1CCC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.36
▸ BCHE P06276 5/20 0.36
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ POLB P06746 2/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ NR4A1 P22736 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL1077355 0.84 DHODH (0.33) ACHEBCHEATMRORCDHODH
SCHEMBL15132715 0.76 ATM (0.62) ATMTP53LMNARAB9A
SCHEMBL30753925 0.70 ATM (0.44) ATMDHODH
SCHEMBL169389 0.70 ATM (0.44) ATMDHODH
SCHEMBL5722087 0.69 DHODH (0.34) ATMDHODHLMNAKDM4E
SCHEMBL17338118 0.69 LMNA (0.51) LMNA
SCHEMBL1259950 0.69 HTT (0.57) POLBLMNAKDM4E
SCHEMBL4629948 0.68 MAPK1 (0.42) ATMPOLBLMNAP2RY1KDM4E
SCHEMBL4683580 0.67 CHRM3 (0.49) —
SCHEMBL1836123 0.66 HTT (0.46) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893024-A2 ACTIVE SUBSTANCE COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2008-03-05 — — EP disclosed
WO-2006131230-A2 ACTIVE SUBSTANCE COMBINATIONS BAYER CROPSCIENCE AG (DE) 2006-12-14 — — WO disclosed
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