SCHEMBL11054702

SCHEMBL11054702

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 3/20 0.54
▸ TRDMT1 O14717 1/20 0.53
▸ AHCY P23526 3/20 0.51
▸ 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
▸ HIF1A Q16665 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
▸ ADORA2B P29275 2/20 0.50
▸ ATM Q13315 1/20 0.50
▸ CARM1 Q86X55 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 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
SCHEMBL11054057 0.88 TRDMT1 (0.59) ADORA3TRDMT1AHCYSMN1; SMN2NPEPPS
SCHEMBL11054481 0.88 AHCY (0.60) ADORA3TRDMT1AHCYADORA2BTSHR
SCHEMBL11059822 0.86 TRDMT1 (0.57) TRDMT1AHCYSMN1; SMN2NPEPPSTP53
SCHEMBL10886529 0.85 TRDMT1 (0.56) TRDMT1AHCYSMN1; SMN2NPEPPSTP53
SCHEMBL10886428 0.84 SMN1; SMN2 (0.65) ADORA3TRDMT1AHCYSMN1; SMN2NPEPPS
SCHEMBL11060597 0.83 TRDMT1 (0.54) TRDMT1AHCYSMN1; SMN2NPEPPSTP53
SCHEMBL10896379 0.83 AHCY (0.54) TRDMT1AHCYSMN1; SMN2NPEPPSTP53
SCHEMBL10884643 0.82 AHCY (0.59) TRDMT1AHCYSMN1; SMN2NPEPPSTP53
SCHEMBL10883715 0.82 TRDMT1 (0.49) ADORA3TRDMT1AHCYSMN1; SMN2NPEPPS
SCHEMBL10884608 0.81 TRDMT1 (0.51) TRDMT1AHCYSMN1; SMN2NPEPPSTP53

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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