SCHEMBL11053230

SCHEMBL11053230

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRDMT1 O14717 1/20 0.52
▸ CARM1 Q86X55 2/20 0.49
▸ ATM Q13315 1/20 0.48
▸ NNMT P40261 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPEPPS P55786 2/20 0.47
▸ TP53 P04637 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ ANPEP P15144 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ADORA2A P29274 1/20 0.46
▸ ADORA2B P29275 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ PAX8 Q06710 1/20 0.46
▸ AHCY P23526 3/20 0.46
▸ DOT1L Q8TEK3 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.45

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 0.90 TRDMT1 (0.59) TRDMT1ATMNNMTSMN1; SMN2NPEPPS
SCHEMBL11059822 0.88 TRDMT1 (0.57) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL10886529 0.85 TRDMT1 (0.56) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL11060597 0.84 TRDMT1 (0.54) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL11053222 0.83 CARM1 (0.51) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL10884608 0.83 TRDMT1 (0.51) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL10886849 0.83 TRDMT1 (0.51) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL11054481 0.83 AHCY (0.60) TRDMT1ADORA2AADORA2BAHCY
SCHEMBL10884643 0.83 AHCY (0.59) TRDMT1CARM1ATMNNMTSMN1; SMN2
SCHEMBL10884690 0.81 TRDMT1 (0.49) TRDMT1CARM1ATMNNMTSMN1; SMN2

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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