SCHEMBL8076003

SCHEMBL8076003

O=C(O)N(c1ccccc1)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
LMNA P02545 3/20 0.56
TP53 P04637 1/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
TSHR P16473 3/20 0.52
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
HPGD P15428 5/20 0.48
MAPT P10636 2/20 0.48
HSD17B10 Q99714 2/20 0.48
GPR55 Q9Y2T6 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 3/20 0.46

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
SCHEMBL28488116 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNATP53
Hydrochloric Acid SCHEMBL28640787 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL5023451 0.86 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL11613440 0.80 RAB9A (0.59) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL11727782 0.80 TSHR (0.49) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL21753481 0.79 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL2939270 0.79 NPC1 (0.75) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL27802492 0.79 RAB9A (0.57) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL16484012 0.78 NPC1 (0.51) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL2457113 0.77 PDE10A (0.62) SMN1; SMN2TSHRKDM4ENPSR1HPGD

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-1019722-A1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT Abbott Laboratories (US) 2000-07-19 EP disclosed
WO-1997028447-A1 POLYMERIC FLUOROPHORES ENHANCED BY MOIETIES PROVIDING A HYDROPHOBIC AND CONFORMATIONALLY RESTRICTIVE MICROENVIRONMENT ABBOTT LABORATORIES (US) 1997-08-07 WO disclosed