SCHEMBL11054057

SCHEMBL11054057

COc1ccc(C[C@H](N)C(=O)N(C(=O)[C@@H](N)Cc2ccc(OC)cc2)[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.59
▸ AHCY P23526 6/20 0.54
▸ HIF1A Q16665 2/20 0.54
▸ TMEM97 Q5BJF2 1/20 0.54
▸ SIGMAR1 Q99720 1/20 0.54
▸ NNMT P40261 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ NPEPPS P55786 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ ANPEP P15144 1/20 0.53
▸ LMNA P02545 1/20 0.53
▸ HTT P42858 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PAX8 Q06710 1/20 0.52
▸ HSP90B1 P14625 1/20 0.51
▸ ADORA2B P29275 2/20 0.51
▸ ADORA2A P29274 1/20 0.51

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
SCHEMBL11059822 0.98 TRDMT1 (0.57) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL10886529 0.95 TRDMT1 (0.56) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL11060597 0.93 TRDMT1 (0.54) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL10884643 0.92 AHCY (0.59) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL10886849 0.91 TRDMT1 (0.51) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL10884608 0.91 TRDMT1 (0.51) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL11053230 0.90 TRDMT1 (0.52) TRDMT1AHCYHIF1ATMEM97SIGMAR1
SCHEMBL10884690 0.89 TRDMT1 (0.49) TRDMT1AHCYHIF1ANNMTATM
SCHEMBL11054702 0.88 ADORA3 (0.54) TRDMT1AHCYHIF1AATMSMN1; SMN2
SCHEMBL10887916 0.88 AHCY (0.54) TRDMT1AHCYHIF1ANNMTATM

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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