SCHEMBL11060597

SCHEMBL11060597

COc1ccc(C[C@H](N)C(=O)N(C(=O)OC(C)(C)C)[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.54
▸ NNMT P40261 1/20 0.49
▸ ATM Q13315 1/20 0.49
▸ AHCY P23526 5/20 0.49
▸ HIF1A Q16665 2/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ NPEPPS P55786 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ ANPEP P15144 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ ADORA2A P29274 1/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ HSP90B1 P14625 1/20 0.46

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
SCHEMBL11054057 0.93 TRDMT1 (0.59) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10882618 0.92 AHCY (0.49) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10886529 0.91 TRDMT1 (0.56) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10886849 0.91 TRDMT1 (0.51) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10884608 0.91 TRDMT1 (0.51) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL11059822 0.91 TRDMT1 (0.57) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10883715 0.89 TRDMT1 (0.49) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10884643 0.89 AHCY (0.59) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL11060572 0.89 ATM (0.46) TRDMT1NNMTATMAHCYHIF1A
SCHEMBL10884690 0.89 TRDMT1 (0.49) TRDMT1NNMTATMAHCYHIF1A

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
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
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