SCHEMBL7936728

SCHEMBL7936728

C=C(OC(C)(C)C)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.53
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ MAPT P10636 6/20 0.47
▸ LMNA P02545 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GFER P55789 1/20 0.46
▸ POLB P06746 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL17590071 0.88 MAPT (0.50) GPR119MAPTLMNAALDH1A1NPC1
SCHEMBL2056118 0.81 GPR119 (0.77) GPR119MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL7932466 0.79 PANK3 (0.46) GPR119MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL21241225 0.77 GRIN2D (0.42) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL17550836 0.77 TRPC6 (0.44) GPR119MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5231173 0.77 GPR119 (0.70) GPR119MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL5573222 0.73 MAPT (0.76) GPR119MEN1KMT2ASMN1; SMN2CYP2C19
SCHEMBL3414344 0.73 ADRB1 (0.70) MEN1KMT2ASMN1; SMN2AKR1C3MAPT
SCHEMBL7105773 0.73 ADRB1 (0.70) MEN1KMT2ASMN1; SMN2AKR1C3MAPT
SCHEMBL10063748 0.73 ADRB1 (0.70) MEN1KMT2ASMN1; SMN2AKR1C3MAPT

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-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
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