SCHEMBL11059822

SCHEMBL11059822

COc1ccc(C[C@H](N)C(=O)N(C(=O)[C@H](N)Cc2ccccc2)[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.57
▸ AHCY P23526 4/20 0.56
▸ CARM1 Q86X55 2/20 0.53
▸ NNMT P40261 1/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ TMEM97 Q5BJF2 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ DOT1L Q8TEK3 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ NPEPPS P55786 2/20 0.51
▸ TP53 P04637 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ ANPEP P15144 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PAX8 Q06710 1/20 0.51
▸ ADORA2A P29274 2/20 0.50

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 0.98 TRDMT1 (0.59) TRDMT1AHCYNNMTHIF1ATMEM97
SCHEMBL10884643 0.94 AHCY (0.59) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL10886529 0.93 TRDMT1 (0.56) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL10884690 0.91 TRDMT1 (0.49) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL11060597 0.91 TRDMT1 (0.54) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL10887916 0.90 AHCY (0.54) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL10884608 0.89 TRDMT1 (0.51) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL10886849 0.89 TRDMT1 (0.51) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL11053230 0.88 TRDMT1 (0.52) TRDMT1AHCYCARM1NNMTHIF1A
SCHEMBL11052640 0.88 AHCY (0.60) TRDMT1AHCYNNMTHIF1ATMEM97

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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