SCHEMBL11060873

SCHEMBL11060873

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPEPPS P55786 3/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62
ANPEP P15144 1/20 0.62
LMNA P02545 1/20 0.62
HIF1A Q16665 1/20 0.62
HTT P42858 1/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
PAX8 Q06710 1/20 0.61
ATM Q13315 1/20 0.55
DOT1L Q8TEK3 1/20 0.53
TRDMT1 O14717 1/20 0.53
HSP90AA1 P07900 2/20 0.53
HSP90B1 P14625 2/20 0.53
AHCY P23526 1/20 0.52
CARM1 Q86X55 1/20 0.52
TSHR P16473 3/20 0.51
MAPK1 P28482 2/20 0.51

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
SCHEMBL10886428 0.91 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL11198593 0.91 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10886296 0.91 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Water SCHEMBL11057575 0.91 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL10889749 0.90 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL11200420 0.90 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL10888079 0.90 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
Hydrochloric Acid SCHEMBL11057140 0.89 SMN1; SMN2 (0.67) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10884370 0.88 SMN1; SMN2 (0.59) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10886702 0.88 SMN1; SMN2 (0.59) 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
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 US disclosed
EP-0071926-A1 New ribofuranuronic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-16 EP disclosed