SCHEMBL6855765

SCHEMBL6855765

Cc1ccc2c(c1)c(=S)[nH]c1nnc(N(C)C)n12

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MALT1 Q9UDY8 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
PARP10 Q53GL7 1/20 0.32
KDM4E B2RXH2 2/20 0.32
PSMB8 P28062 1/20 0.32
KEAP1 Q14145 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK1 P53350 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL6850058 0.84 MALT1 (0.39) RXFP1MALT1ALDH1A1MAPTPARP10
SCHEMBL6854060 0.69 NPC1 (0.39) MALT1HPGD
SCHEMBL16621634 0.56 CYP2A6 (0.40) RXFP1SMN1; SMN2ALDH1A1MAPTPARP10
SCHEMBL15345098 0.56 KDR (0.38) RXFP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL24576002 0.54 ALDH1A1 (0.53) RXFP1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL17265046 0.54 MAPT (0.47) RXFP1SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL25880201 0.54 KDM4E (0.37) RXFP1SMN1; SMN2ALDH1A1MAPTPARP10
SCHEMBL15345117 0.53 ADORA2A (0.41) ALDH1A1MAPTKDM4EGAA
SCHEMBL31414199 0.53 KMT2A (0.66) RXFP1ALDH1A1MAPTKDM4EHPGD
SCHEMBL793546 0.53 BCHE (0.56) RXFP1ALDH1A1MAPTKDM4EHPGD

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-6828315-B1 Anti- inflammatories, anti-allergics, bronchodilatators, anti-asthmatics, or TNF alpha inhibitors WARNER-LAMBERT LLC 2004-12-07 US disclosed