SCHEMBL28470725

SCHEMBL28470725

O=C1C(Cc2c[nH]c3ccccc3c2=O)SC(=S)N1CCc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 7/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ RIPK1 Q13546 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 8/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 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
SCHEMBL28462403 0.72 LMNA (0.41) NPSR1MAPTSMN1; SMN2GAAIDO1
SCHEMBL28459135 0.72 MAPT (0.46) NPSR1MAPTSMN1; SMN2GAAIDO1
SCHEMBL29727842 0.72 MAPT (0.45) MAPTSMN1; SMN2IDO1TP53GLA
SCHEMBL26794064 0.72 MAPT (0.45) MAPTSMN1; SMN2IDO1TP53GLA
SCHEMBL6886579 0.64 MAPT (0.41) MAPTSMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL29764671 0.63 HTR6 (0.42) MAPTSMN1; SMN2IDO1TP53GLA
SCHEMBL29764722 0.63 KMT2A (0.37) NPSR1MAPTSMN1; SMN2IDO1TP53
SCHEMBL25082286 0.63 MEN1 (0.65) NPSR1MAPTSMN1; SMN2RAB9AGAA
SCHEMBL8932766 0.62 IDO1 (0.60) MAPTSMN1; SMN2IDO1TP53GLA
SCHEMBL29764730 0.62 IDO1 (0.60) MAPTSMN1; SMN2IDO1TP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333614-B Quinolinone compounds and use thereof 遵义医科大学珠海校区 2021-01-15 — — CN claimed
CN-111333614-A Quinolinone compounds and use thereof 遵义医科大学珠海校区 2020-06-26 — — CN claimed
CN-111333614-B Quinolinone compounds and use thereof 遵义医科大学珠海校区 2021-01-15 — — CN disclosed
CN-111333614-A Quinolinone compounds and use thereof 遵义医科大学珠海校区 2020-06-26 — — CN disclosed
Send feedback