SCHEMBL28363243

SCHEMBL28363243

CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OCC(N)=O)ccc3nc2-1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.87
▸ MEN1 O00255 3/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ KDM4E B2RXH2 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ HBB P68871 2/20 0.72
▸ CASP1 P29466 1/20 0.72
▸ CASP7 P55210 1/20 0.72
▸ TP53 P04637 2/20 0.70
▸ GLA P06280 2/20 0.70
▸ HPGD P15428 2/20 0.70
▸ STAT6 P42226 1/20 0.70
▸ CHEK1 O14757 1/20 0.70
▸ HDAC3 O15379 1/20 0.70
▸ ABCC4 O15439 1/20 0.70
▸ GMNN O75496 1/20 0.70
▸ LMNA P02545 1/20 0.70
▸ CYP1A2 P05177 1/20 0.70

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
SCHEMBL28363378 0.93 TOP1 (1.00) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6830590 0.91 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28366843 0.91 TOP1 (0.84) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL10633845 0.91 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL28363245 0.90 TOP1 (0.83) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL27476036 0.90 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL3142510 0.90 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL8318602 0.89 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29229512 0.89 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL29994505 0.89 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698491-B 2- (camptothecin-10-oxyl) acetamide compound and application thereof 西安交通大学 2021-03-02 — — CN claimed
CN-110698491-A 2- (camptothecin-10-oxyl) acetamide compound and application thereof 西安交通大学 2020-01-17 — — CN claimed
CN-110698491-B 2- (camptothecin-10-oxyl) acetamide compound and application thereof 西安交通大学 2021-03-02 — — CN disclosed
CN-110698491-B 2- (camptothecin-10-oxyl) acetamide compound and application thereof 西安交通大学 2021-03-02 — — CN disclosed
CN-110698491-A 2- (camptothecin-10-oxyl) acetamide compound and application thereof 西安交通大学 2020-01-17 — — CN disclosed
CN-110698491-A 2- (camptothecin-10-oxyl) acetamide compound and application thereof 西安交通大学 2020-01-17 — — CN disclosed
Send feedback