SCHEMBL28815834

SCHEMBL28815834

C=C(Cn1c(-c2ccccc2)nc2ccccc21)C(=O)OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.66
▸ TSHR P16473 3/20 0.66
▸ LMNA P02545 2/20 0.66
▸ KDM4E B2RXH2 7/20 0.65
▸ ALDH1A1 P00352 7/20 0.58
▸ HPGD P15428 5/20 0.58
▸ HTT P42858 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ PDE6D O43924 2/20 0.50
▸ ALDH2 P05091 1/20 0.50
▸ ALDH3A1 P30838 1/20 0.50
▸ DRD2 P14416 1/20 0.49
▸ TBXA2R P21731 1/20 0.49
▸ TP53 P04637 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL28815849 0.85 HSD17B10 (0.74) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL15474489 0.84 KDM4E (0.72) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL30410670 0.80 HSD17B10 (1.00) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL25454233 0.80 HSD17B10 (1.00) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL15643888 0.80 HSD17B10 (1.00) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL22769595 0.78 HSD17B10 (0.74) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL14397087 0.77 KDM4E (0.78) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL18968584 0.77 KDM4E (0.64) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL5884114 0.77 HPGD (0.65) HSD17B10TSHRLMNAKDM4EALDH1A1
SCHEMBL14646191 0.77 HSD17B10 (0.94) HSD17B10TSHRLMNAKDM4EALDH1A1

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
CN-114874229-B 5, 6-dihydro-benzimidazol isoquinoline spiro lactone compound and synthetic method and application thereof 杭州医学院 2023-07-18 — — CN disclosed
CN-114874229-A 5, 6-dihydrobenzimidazoisoquinoline spiro lactone compound and synthesis method and application thereof 杭州医学院 2022-08-09 — — CN disclosed
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