SCHEMBL29242546

SCHEMBL29242546

C=CC(=O)C=Cc1cccs1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.65
ABCG2 Q9UNQ0 2/20 0.54
SMN1; SMN2 Q16637 5/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
PSMD14 O00487 1/20 0.50
TP53 P04637 1/20 0.50
GLA P06280 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.49

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
SCHEMBL5598741 0.88 HCAR2 (0.74) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL5598744 0.88 HCAR2 (0.74) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL12425740 0.80 HCAR2 (0.62) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL18403481 0.79 HCAR2 (0.56) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL9329482 0.79 HCAR2 (0.66) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL9329490 0.79 HCAR2 (0.66) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL1086015 0.79 HCAR2 (0.71) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL143282 0.79 HCAR2 (1.00) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL4197243 0.79 HCAR2 (0.71) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1
SCHEMBL600082 0.79 HCAR2 (1.00) HCAR2ABCG2SMN1; SMN2LMNAALDH1A1

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
CN-117986921-A High-speed printing UV ink 珠海天威新材料股份有限公司 2024-05-07 CN claimed
CN-117986921-A High-speed printing UV ink 珠海天威新材料股份有限公司 2024-05-07 CN disclosed