SCHEMBL8818927

SCHEMBL8818927

Cc1cccc(-c2nc3c(Cc4ccccc4C(F)(F)F)cc(O)cc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 4/20 0.41
▸ GAA P10253 4/20 0.41
▸ SI P14410 4/20 0.41
▸ MGAM2 Q2M2H8 4/20 0.41
▸ NR1I3 Q14994 1/20 0.41
▸ PTGES O14684 2/20 0.38
▸ DHODH Q02127 4/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ PIN1 Q13526 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPBWR1 P48145 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL8814846 0.88 MGAM (0.39) MGAMGAASIMGAM2PTGES
SCHEMBL8818857 0.84 PTGES (0.44) MGAMGAASIMGAM2NR1I3
SCHEMBL8818778 0.83 GAA (0.49) MGAMGAASIMGAM2NR1I3
SCHEMBL8818638 0.81 PARP1 (0.45) MGAMGAASIMGAM2PTGES
SCHEMBL8818545 0.81 DYRK3 (0.45) MGAMGAASIMGAM2NR1I3
SCHEMBL8818531 0.80 CHEK2 (0.41) MGAMGAASIMGAM2NR1I3
SCHEMBL8817526 0.79 NR1I3 (0.34) MGAMGAASIMGAM2NR1I3
SCHEMBL8818801 0.79 ACHE (0.44) MGAMGAASIMGAM2NR1I3
SCHEMBL8916477 0.78 PPARG (0.37) MGAMGAASIMGAM2NR1I3
SCHEMBL8816563 0.75 DHODH (0.40) MGAMGAASIMGAM2DHODH

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
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