SCHEMBL8690844

SCHEMBL8690844

O=C1NC(=O)C(Cc2cc3ccccc3n2Cc2ccccc2)S1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.53
PPARA Q07869 3/20 0.53
CCR2 P41597 3/20 0.47
PPARG P37231 4/20 0.46
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 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
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41

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
SCHEMBL8686793 0.89 FFAR1 (0.47) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL97359 0.80 FFAR1 (0.48) FFAR1PPARACCR2PPARGMAPT
SCHEMBL13846729 0.80 DDB1 (0.56) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL97460 0.79 PPARG (0.49) FFAR1PPARACCR2PPARGMAPT
SCHEMBL8690850 0.76 CCR2 (0.44) CCR2PPARGALDH1A1KDM4EGAA
SCHEMBL8686619 0.74 FFAR1 (0.57) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL166570 0.74 PPARG (0.74) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL100284 0.73 FFAR1 (0.50) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL8685001 0.72 FFAR1 (0.58) FFAR1PPARAPPARGMAPTALDH1A1
SCHEMBL31402270 0.72 CCR2 (0.59) CCR2PPARGALDH1A1KDM4EGAA

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
US-5811439-A ANTIDIABETIC AGENTS; SIDE EFFECT REDUCTION; ANTILEPEMIC AGENTS SENGA PHARMACEUTICAL LABORATORY INC. (JP) 1998-09-22 US disclosed
EP-0780389-A1 Thiazolidinedione derivatives, process for their preparation and pharmaceutical compositions containing them TOBISHI PHARMACEUTICAL CO., LTD. (JP) 1997-06-25 EP disclosed