SCHEMBL6954017

SCHEMBL6954017

Cc1oc(-c2cccs2)nc1COc1ccc2cc(CC3SC(=O)NC3=O)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.47
FFAR1 O14842 9/20 0.43
PPARG P37231 10/20 0.42
PPARD Q03181 3/20 0.41
CYP3A4 P08684 1/20 0.38
RXRA P19793 1/20 0.38

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
SCHEMBL6960726 0.88 KDR (0.50) PPARAFFAR1PPARG
SCHEMBL6960528 0.86 FFAR1 (0.49) PPARAFFAR1PPARGCYP3A4RXRA
SCHEMBL6964835 0.84 FFAR1 (0.46) PPARAFFAR1PPARGCYP3A4RXRA
SCHEMBL6958644 0.82 PPARG (0.50) PPARAPPARGPPARDCYP3A4
SCHEMBL6959897 0.80 KDR (0.47) PPARAFFAR1PPARG
SCHEMBL6966643 0.80 FFAR1 (0.52) PPARAFFAR1PPARGCYP3A4RXRA
SCHEMBL6954966 0.79 FFAR1 (0.49) PPARAFFAR1PPARGCYP3A4RXRA
SCHEMBL8140557 0.79 PPARG (0.49) PPARAPPARGPPARDCYP3A4RXRA
SCHEMBL377641 0.78 FFAR1 (0.59) PPARAFFAR1PPARGCYP3A4
SCHEMBL29602962 0.78 FFAR1 (0.59) PPARAFFAR1PPARGCYP3A4

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