SCHEMBL21241336

SCHEMBL21241336

CC(C)c1ccnc(-c2ncco2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ CHRNA7 P36544 2/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ CTSA P10619 1/20 0.30
▸ AURKA O14965 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ JAK2 O60674 1/20 0.30
▸ MAP4K4 O95819 1/20 0.30
▸ PAK4 O96013 1/20 0.30
▸ ABL1 P00519 1/20 0.30
▸ LCK P06239 1/20 0.30
▸ FYN P06241 1/20 0.30

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
SCHEMBL11399098 0.80 CCR1 (0.48) HPGDCHRNA7PIM1CCR1CCR5
SCHEMBL25693514 0.78 NOTUM (0.54) HPGDNOTUM
SCHEMBL14211873 0.77 HPGDS (0.37) HPGDHPGDSCHRNA7LTA4HBRD4
SCHEMBL14209412 0.76 HPGDS (0.46) HPGDHPGDSLTA4HBRD4NOTUM
SCHEMBL30210858 0.76 CCR1 (0.61) HPGDHPGDSCHRNA7LTA4HBRD4
SCHEMBL21695756 0.75 PIM1 (0.33) CHRNA7PIM1CCR1CCR5CCR8
SCHEMBL13380084 0.75 LMNA (0.46) HPGDSLTA4HBRD4NOTUMPDE2A
SCHEMBL9263374 0.74 NOTUM (0.53) HPGDHPGDSCHRNA7LTA4HBRD4
SCHEMBL13380088 0.73 AKR1C3 (0.38) HPGDBRD4CTSA
SCHEMBL19362627 0.73 CCR1 (0.41) HPGDCHRNA7PIM1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 — — WO disclosed
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