SCHEMBL6753122

SCHEMBL6753122

O=C(O)c1ccc2ccccc2c1Cc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.50
▸ WDR5 P61964 1/20 0.49
▸ LDHA P00338 1/20 0.47
▸ GPR35 Q9HC97 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ NR4A1 P22736 1/20 0.44
▸ NR4A2 P43354 1/20 0.44
▸ NR4A3 Q92570 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ME2 P23368 1/20 0.42
▸ ME1 P48163 1/20 0.42
▸ ME3 Q16798 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HPGD P15428 4/20 0.42
▸ LMNA P02545 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ GAA P10253 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
SCHEMBL29625682 0.83 WDR5 (0.63) CYP2C9WDR5LDHAGPR35POLB
SCHEMBL23515379 0.83 WDR5 (0.63) CYP2C9WDR5LDHAGPR35POLB
SCHEMBL28298349 0.82 CDC25B (0.49) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL6755241 0.79 HSD17B10 (0.66) CYP2C9MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL6750379 0.76 KDM4E (0.40) CYP2C9POLBMEN1KMT2ASMN1; SMN2
SCHEMBL23499972 0.76 HSD17B10 (0.71) CYP2C9WDR5LDHAGPR35POLB
SCHEMBL28298455 0.75 CYP2C9 (0.51) CYP2C9POLBMEN1KMT2ASMN1; SMN2
SCHEMBL29883661 0.75 CYP2C9 (0.51) CYP2C9POLBMEN1KMT2ASMN1; SMN2
SCHEMBL10422778 0.75 WDR5 (0.61) CYP2C9WDR5LDHAGPR35POLB
SCHEMBL23515369 0.75 WDR5 (0.53) CYP2C9WDR5LDHAGPR35POLB

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-109721615-A Inhibitors of influenza viruses replication and application thereof 广东东阳光药业有限公司 2019-05-07 — — CN disclosed
US-20040077821-A1 Flame retarding resin composition CHANG CHUN PLASTICS CO., LTD. (TW) 2004-04-22 — — US disclosed
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