SCHEMBL11054040

SCHEMBL11054040

COc1ccc(C[C@H](NC(=O)[C@@H](N)Cc2ccc(OC)cc2)C(=O)N[C@H]2[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O[C@@H]2C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPEPPS P55786 3/20 0.60
TP53 P04637 2/20 0.60
CYP3A4 P08684 2/20 0.60
HIF1A Q16665 2/20 0.60
ANPEP P15144 1/20 0.60
LMNA P02545 1/20 0.60
HTT P42858 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
PAX8 Q06710 1/20 0.59
ATM Q13315 1/20 0.55
TRDMT1 O14717 1/20 0.53
DOT1L Q8TEK3 1/20 0.52
AHCY P23526 2/20 0.50
CARM1 Q86X55 2/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49

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
SCHEMBL11198593 0.94 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL10886296 0.94 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Water SCHEMBL11057575 0.94 SMN1; SMN2 (0.65) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL10888079 0.93 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL11200420 0.93 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
Hydrochloric Acid SCHEMBL10889749 0.93 SMN1; SMN2 (0.66) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL10886521 0.92 SMN1; SMN2 (0.53) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL11053222 0.90 CARM1 (0.51) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL10884594 0.90 NPEPPS (0.50) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A
SCHEMBL11060590 0.90 NPEPPS (0.51) SMN1; SMN2NPEPPSTP53CYP3A4HIF1A

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