SCHEMBL10886702

SCHEMBL10886702

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
NPEPPS P55786 3/20 0.59
TP53 P04637 2/20 0.59
CYP3A4 P08684 2/20 0.59
ANPEP P15144 1/20 0.59
LMNA P02545 1/20 0.59
HIF1A Q16665 1/20 0.59
HTT P42858 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
PAX8 Q06710 1/20 0.58
DOT1L Q8TEK3 1/20 0.54
CARM1 Q86X55 2/20 0.54
TRDMT1 O14717 1/20 0.53
ATM Q13315 1/20 0.53
AHCY P23526 2/20 0.51
ADORA3 P0DMS8 2/20 0.49
ADORA2B P29275 1/20 0.49
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48

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
SCHEMBL10884370 1.00 SMN1; SMN2 (0.59) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10886428 0.89 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10886296 0.89 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL11198593 0.89 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Water SCHEMBL11057575 0.88 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL11054040 0.88 SMN1; SMN2 (0.60) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL11060873 0.88 SMN1; SMN2 (0.62) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL11200420 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL10888079 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL10889749 0.88 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP

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