SCHEMBL7372803

SCHEMBL7372803

O=S(=O)(O)c1ncc2ccccc2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.39
EGFR P00533 1/20 0.39
CYP1A2 P05177 3/20 0.38
MGAM O43451 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37
ACHE P22303 1/20 0.37
HTR3A P46098 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
FDPS P14324 1/20 0.36
MAP3K5 Q99683 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACP1 P24666 1/20 0.35

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
SCHEMBL329598 0.82 KDM4E (0.41) KDM4EGPR3EGFRCYP1A2MGAM
SCHEMBL637363 0.81 CA1 (0.45) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL31387787 0.81 ALDH1A1 (0.41) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL30925390 0.77 L3MBTL1 (0.42) L3MBTL1KDM4EGPR3EGFRCYP1A2
SCHEMBL27709182 0.77 CYP1A2 (0.41) L3MBTL1KDM4EGPR3EGFRCYP1A2
SCHEMBL7736717 0.77 LMNA (0.37) KDM4EGPR3EGFRCYP1A2ALDH1A1
SCHEMBL27372062 0.74 KDM4E (0.42) L3MBTL1KDM4ECYP1A2ALDH1A1MAPT
SCHEMBL3531193 0.73 KDM4E (0.53) L3MBTL1KDM4ECYP1A2HDAC8ALDH1A1
SCHEMBL27974064 0.73 ALDH1A1 (0.49) L3MBTL1KDM4EGPR3EGFRCYP1A2
SCHEMBL27930768 0.73 KDM4E (0.54) L3MBTL1KDM4EALDH1A1HPGDGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US claimed
EP-0720607-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-07-10 EP claimed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO claimed
CN-114384164-A Aminoglycoside antibiotic aptamer, affinity column thereof, preparation method and application thereof 北京市农林科学院 2022-04-22 CN disclosed
CN-104130167-A 3-[(dodecamercapto)(propyl)methyl]pentyl-2,4-dione synthesis method ANHUI SHIHUA CHEMICAL CO LTD 2014-11-05 CN disclosed
CN-102260217-B 2-sulfo-quinazoline derivative and synthesis method HUAIHAI INST TECHNOLOGY 2014-03-05 CN disclosed
CN-102260217-B 2-sulfo-quinazoline derivative and synthesis method HUAIHAI INST TECHNOLOGY 2014-03-05 CN disclosed
CN-102260217-A 2-sulfo-quinazoline derivative and synthesis method 2011-11-30 CN disclosed
CN-102260217-A 2-sulfo-quinazoline derivative and synthesis method 2011-11-30 CN disclosed
CN-1246034-A Fungicidal mixtures DU PONT (US) 2000-03-01 CN disclosed
US-5977169-A FOR TREATMENT OF A PERSON WITH AIDS OR AIDS RELATED DISEASES PHARMACIA & UPJOHN COMPANY 1999-11-02 US disclosed
EP-0720607-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES PHARMACIA & UPJOHN COMPANY (US) 1996-07-10 EP disclosed
CN-1123028-A Fungicidal fused bicyclic pyrimidinones DU PONT (US) 1996-05-22 CN disclosed
WO-1995007901-A1 SUBSTITUTED TETRONIC ACIDS USEFUL FOR TREATING HIV AND OTHER RETROVIRUSES THE UPJOHN COMPANY (US) 1995-03-23 WO disclosed