SCHEMBL20186972

SCHEMBL20186972

c1nc2c(ccc3cscc32)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
HTT P42858 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL272930 0.74 ALDH1A1 (0.42) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL5160632 0.73 ALDH1A1 (0.46) KDM4EALDH1A1TDP1HSD17B10
Bromide SCHEMBL29723865 0.73 ALDH1A1 (0.41) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL10054252 0.73 ALDH1A1 (0.38) ALDH1A1HSD17B10
SCHEMBL29772171 0.72 EGLN1 (0.34) ALDH1A1HSD17B10
SCHEMBL4135479 0.70 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL10911170 0.70 CYP2A6 (0.41) KDM4EALDH1A1
SCHEMBL29684194 0.70 HPRT1 (0.50) ALDH1A1MAPTHPGDTDP1HSD17B10
SCHEMBL984030 0.70 HPRT1 (0.50) ALDH1A1MAPTHPGDTDP1HSD17B10
Cyanide SCHEMBL8982602 0.70 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11535019-B2 Lignocellulosic composites and methods of making same COLLABORATIVE AGGREGATES, LLC (US) 2022-12-27 US disclosed
EP-3302969-B1 LIGNOCELLULOSIC COMPOSITES AND METHODS OF MAKING SAME COLLABORATIVE AGGREGATES LLC (US) 2021-01-27 EP disclosed
US-20180147824-A1 Lignocellulosic Composites and Methods of Making Same COLLABORATIVE AGGREGATES, LLC (US) 2018-05-31 US disclosed