SCHEMBL11174091

SCHEMBL11174091

CCOC(=N)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.50
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
WDR5 P61964 1/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
KDM4E B2RXH2 3/20 0.42
AGTR1 P30556 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RARA P10276 1/20 0.41
RARB P10826 1/20 0.41
RARG P13631 1/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL3736474 0.98 DGAT1 (0.49) DGAT1MAPTSMN1; SMN2L3MBTL1WDR5
SCHEMBL13108731 0.92 DGAT1 (0.56) DGAT1MAPTSMN1; SMN2L3MBTL1WDR5
SCHEMBL437904 0.88 DGAT1 (0.52) DGAT1MAPTSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL336974 0.86 DGAT1 (0.50) DGAT1MAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL13108706 0.85 DGAT1 (0.62) DGAT1SMN1; SMN2HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL6960112 0.84 DGAT1 (0.49) DGAT1MAPTSMN1; SMN2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL17512889 0.83 DGAT1 (0.60) DGAT1SMN1; SMN2HPGDALDH1A1MEN1
Hydrochloric Acid SCHEMBL20766398 0.83 DGAT1 (0.60) DGAT1SMN1; SMN2HPGDALDH1A1MEN1
SCHEMBL3739816 0.81 LTA4H (0.53) DGAT1MAPTSMN1; SMN2HPGDALDH1A1
Hydrochloric Acid SCHEMBL3739815 0.80 LTA4H (0.52) DGAT1MAPTSMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115710227-A Preparation method of indenoisoquinoline derivative 广东工业大学 2023-02-24 CN disclosed
US-4379155-A 3,5-Disubstituted-1H-1,2,4-triazole derivatives GRUPPO LEPETIT S.P.A. (IT) 1983-04-05 US disclosed
US-4370336-A OXYTOCICS GRUPPO LEPETIT S.P.A. (IT) 1983-01-25 US disclosed
US-4313950-A Antireproductive tricyclic ortho-fused nitrogen containing compounds GRUPPO LEPETIT S.P.A. (IT) 1982-02-02 US disclosed
US-4275066-A 1,2,4-TRIAZOLO(5.1A)ISOINDOZE, TRIAZOLO(5.1A) ISOQUINOLINE OR 1,2,4,-TRIAZOLO (5.1A)(2) BENZAZEPINE CONTRACEPTIVES GRUPPO LEPETIT S.P.A. (IT) 1981-06-23 US disclosed