SCHEMBL6963704

SCHEMBL6963704

O=C1NC(=O)C(Cc2cnc3cc(CCc4ccccc4)ccc3c2)S1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.49
FFAR1 O14842 6/20 0.48
PPARA Q07869 3/20 0.46
MAPT P10636 1/20 0.45
CYP3A4 P08684 1/20 0.44
RXRA P19793 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AKT1 P31749 1/20 0.43
PIK3CA P42336 1/20 0.43
CA2 P00918 1/20 0.42
MAOB P27338 1/20 0.42
MAOA P21397 1/20 0.42
CISD1 Q9NZ45 1/20 0.42

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
SCHEMBL6964875 0.86 FFAR1 (0.61) PPARGFFAR1PPARACYP3A4RXRA
SCHEMBL6961699 0.85 PPARG (0.41) PPARGFFAR1PPARAMAPTCYP3A4
SCHEMBL23578851 0.85 PPARG (0.50) PPARGFFAR1PPARAMAPTCYP3A4
SCHEMBL29764689 0.85 PPARG (0.50) PPARGFFAR1PPARAMAPTCYP3A4
SCHEMBL6964865 0.84 PPARG (0.49) PPARGFFAR1PPARAMAPTCYP3A4
SCHEMBL29602962 0.84 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL377641 0.84 FFAR1 (0.59) PPARGFFAR1PPARACYP3A4
SCHEMBL6965683 0.83 PPARG (0.43) PPARGFFAR1PPARA
SCHEMBL6954013 0.82 MAOA (0.48) PPARGFFAR1PPARAMAPTCYP3A4
SCHEMBL6958784 0.81 FFAR1 (0.58) PPARGFFAR1PPARACYP3A4RXRA

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-0787725-B1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO (JP) 2003-04-23 EP disclosed
EP-0787725-A1 QUINOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-08-06 EP disclosed