SCHEMBL8817536

SCHEMBL8817536

Cc1cccc(-c2nc3c(-c4ccccc4)cccc3[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.58
MGAM O43451 7/20 0.52
GAA P10253 7/20 0.52
SI P14410 7/20 0.52
MGAM2 Q2M2H8 7/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PDE10A Q9Y233 1/20 0.49
PTGES O14684 1/20 0.49
PIN1 Q13526 1/20 0.49
DHODH Q02127 2/20 0.48
VSIR Q9H7M9 3/20 0.47
RPS6KA3 P51812 1/20 0.47
NPBWR1 P48145 1/20 0.46
PARP1 P09874 1/20 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
SCHEMBL4457030 0.89 DHODH (0.53) MGAMGAASIMGAM2NPC1
SCHEMBL8818948 0.87 DHODH (0.55) MGAMGAASIMGAM2NPC1
SCHEMBL230979 0.86 DHODH (0.53) MGAMGAASIMGAM2NPC1
SCHEMBL31027957 0.86 DHODH (0.59) MGAMGAASIMGAM2NPC1
SCHEMBL7146754 0.84 DHODH (0.62) MGAMGAASIMGAM2NPC1
SCHEMBL1170898 0.84 DHODH (0.54) MGAMGAASIMGAM2NPC1
SCHEMBL9346643 0.82 GAA (0.54) MGAMGAASIMGAM2NPC1
SCHEMBL8816555 0.82 DHODH (0.51) MGAMGAASIMGAM2NPC1
SCHEMBL8891044 0.82 MGAM (0.68) MGAMGAASIMGAM2DHODH
SCHEMBL8818524 0.82 MGAM (0.68) MGAMGAASIMGAM2PTGES

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
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 WO disclosed