SCHEMBL9043221

SCHEMBL9043221

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)CC3C)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 1/20 0.60
▸ ALDH1A1 P00352 5/20 0.59
▸ KDM4E B2RXH2 5/20 0.59
▸ HSD17B10 Q99714 4/20 0.59
▸ HPGD P15428 4/20 0.59
▸ HTT P42858 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ TSHR P16473 2/20 0.59
▸ BRD4 O60885 1/20 0.59
▸ CYP2J2 P51589 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ MEN1 O00255 6/20 0.55
▸ KMT2A Q03164 6/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HIF1A Q16665 1/20 0.52
▸ USP2 O75604 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ GAA P10253 2/20 0.51
▸ RAD52 P43351 1/20 0.50
▸ PIK3CD O00329 2/20 0.49

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
SCHEMBL9820325 0.91 LMNA (0.53) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9142819 0.86 DRD3 (0.62) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9142833 0.86 DRD3 (0.62) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9142824 0.86 DRD3 (0.62) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9045098 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10HPGDHTT
SCHEMBL9820330 0.83 KDM4E (0.45) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9043188 0.82 KMT2A (0.54) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL10514084 0.82 KMT2A (0.54) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9046654 0.82 LMNA (0.62) DRD3ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL9265454 0.82 KDM4E (0.50) ALDH1A1KDM4EHSD17B10HPGDHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360258-B1 Amino acid quinoline and naphthyridine derivatives ABBOTT LAB (US) 1996-08-14 — — EP disclosed
US-5057523-A Water soluble bactericide ABBOTT LABORATORIES (US) 1991-10-15 — — US disclosed
EP-0360258-A2 Amino acid quinoline and naphthyridine derivatives ABBOTT LABORATORIES (US) 1990-03-28 — — EP disclosed
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