SCHEMBL11054697

SCHEMBL11054697

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.55
SMN1; SMN2 Q16637 3/20 0.53
NPEPPS P55786 2/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
ANPEP P15144 1/20 0.53
LMNA P02545 1/20 0.53
HIF1A Q16665 1/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PAX8 Q06710 1/20 0.53
ADORA2B P29275 3/20 0.51
AHCY P23526 1/20 0.50
TRDMT1 O14717 1/20 0.49
TSHR P16473 4/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C19 P33261 1/20 0.48
HSP90AA1 P07900 1/20 0.48
TMIGD3 P0DMS9 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
SCHEMBL10886428 0.91 SMN1; SMN2 (0.65) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL11054479 0.89 AHCY (0.60) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10886521 0.86 SMN1; SMN2 (0.53) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL11054040 0.86 SMN1; SMN2 (0.60) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL11060590 0.85 NPEPPS (0.51) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10886702 0.84 SMN1; SMN2 (0.59) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10884370 0.84 SMN1; SMN2 (0.59) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10884634 0.84 AHCY (0.56) SMN1; SMN2NPEPPSTP53CYP3A4ANPEP
SCHEMBL10884594 0.84 NPEPPS (0.50) ADORA3SMN1; SMN2NPEPPSTP53CYP3A4
SCHEMBL10896369 0.83 AHCY (0.52) 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 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