SCHEMBL10884643

SCHEMBL10884643

COc1ccc(C[C@H](N)C(=O)N(C(=O)OCc2ccccc2)[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 17)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 5/20 0.59
▸ TRDMT1 O14717 1/20 0.53
▸ DOT1L Q8TEK3 3/20 0.51
▸ CARM1 Q86X55 2/20 0.49
▸ NNMT P40261 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TMEM97 Q5BJF2 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ NPEPPS P55786 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HSP90B1 P14625 1/20 0.47
▸ HTT P42858 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
SCHEMBL11052640 0.95 AHCY (0.60) AHCYTRDMT1DOT1LNNMTATM
SCHEMBL10885247 0.94 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL10887158 0.94 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL11059822 0.94 TRDMT1 (0.57) AHCYTRDMT1DOT1LCARM1NNMT
SCHEMBL10896379 0.92 AHCY (0.54) AHCYTRDMT1DOT1LCARM1ATM
SCHEMBL11054057 0.92 TRDMT1 (0.59) AHCYTRDMT1NNMTATMSMN1; SMN2
SCHEMBL10887916 0.91 AHCY (0.54) AHCYTRDMT1DOT1LCARM1NNMT
SCHEMBL10886574 0.89 ADORA2A (0.49) AHCYSMN1; SMN2HIF1ATP53CYP3A4
SCHEMBL11060597 0.89 TRDMT1 (0.54) AHCYTRDMT1CARM1NNMTATM
SCHEMBL10886529 0.88 TRDMT1 (0.56) AHCYTRDMT1CARM1NNMTATM

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
EP-0071926-B1 NEW RIBOFURANURONIC ACID DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-08 — — EP disclosed
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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