SCHEMBL7654606

SCHEMBL7654606

CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(C(I)c3ccccc3Cl)c2c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.61
PTPN1 P18031 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
PDE2A O00408 2/20 0.39
PTGER4 P35408 2/20 0.39
PDE10A Q9Y233 1/20 0.39
ESR2 Q92731 1/20 0.36
NR1H4 Q96RI1 3/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7652173 0.87 PPARG (0.56) PPARGPTPN1IRAK4PDE2APTGER4
SCHEMBL7660302 0.82 PPARG (0.50) PPARGPTPN1PTGER4NR1H4
SCHEMBL7651510 0.82 PPARG (0.69) PPARGPTPN1ALDH1A1
SCHEMBL1160303 0.81 PPARG (0.82) PPARGPTPN1IRAK4PTGER4NPC1
SCHEMBL1160346 0.81 PPARG (0.81) PPARGPTPN1IRAK4PTGER4NPC1
SCHEMBL1160144 0.81 PPARG (0.81) PPARGPTPN1IRAK4PTGER4NPC1
SCHEMBL1160232 0.79 PPARG (0.78) PPARGIRAK4PTGER4NPC1ALDH1A1
SCHEMBL7657036 0.78 PPARG (0.46) PPARGIRAK4PDE2APDE10ATP53
SCHEMBL7650777 0.78 PPARG (0.91) PPARGIRAK4MAPT
SCHEMBL1179934 0.77 PPARG (0.51) PPARGPTPN1PDE2APTGER4ALDH1A1

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-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed