SCHEMBL7932466

SCHEMBL7932466

C=C(OC(C)(C)C)N1CCN(c2ccc(C)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HRH3 Q9Y5N1 1/20 0.44
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD1 P21728 2/20 0.42
▸ DRD5 P21918 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ GRIN2D O15399 1/20 0.41

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
SCHEMBL12696765 0.84 GPR119 (0.47) MEN1KMT2AHRH3PPARASMN1; SMN2
SCHEMBL1594238 0.84 GPR119 (0.57) PANK3MEN1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL29020760 0.83 GPR119 (0.56) PANK3MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL21241225 0.80 GRIN2D (0.42) MEN1KMT2ASMN1; SMN2HPGDGPR119
SCHEMBL5229665 0.80 CKS1B (0.60) PANK3MEN1KMT2AHRH3SMN1; SMN2
SCHEMBL7936728 0.79 GPR119 (0.53) MEN1CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL15827745 0.78 PPARG (0.48) PANK3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL19446825 0.78 MAP4K4 (0.39) PANK3SMN1; SMN2HPGDGPR119KDM4E
SCHEMBL21424864 0.77 GRIN2D (0.59) PANK3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL23600942 0.76 CKS1B (0.54) PANK3MEN1CYP1A2CYP2C9CYP2C19

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
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
WO-2010030967-A1 4-ARYLOXYQUINOLIN-2(1H)-ONES AS MTOR KINASE AND PI3 KINASE INHIBITORS, FOR USE AS ANTI-CANCER AGENTS WYETH LLC (US) 2010-03-18 — — WO disclosed
Send feedback