SCHEMBL9312019

SCHEMBL9312019

O=S(=O)(NCC(Cc1cccnc1)c1ccc(O)cc1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 16/20 0.57
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL9312956 0.89 TBXAS1 (0.65) TBXAS1KDM4EALDH1A1POLB
SCHEMBL9313198 0.88 TBXAS1 (0.52) TBXAS1KDM4EALDH1A1POLB
SCHEMBL9312095 0.87 TBXAS1 (0.52) TBXAS1KDM4EALDH1A1POLB
SCHEMBL9312369 0.86 AR (0.55) TBXAS1KDM4E
SCHEMBL9311618 0.85 TBXAS1 (0.57) TBXAS1
SCHEMBL9311669 0.83 TBXAS1 (0.48) TBXAS1KDM4EALDH1A1POLB
SCHEMBL9310892 0.83 TBXAS1 (0.53) TBXAS1KDM4E
SCHEMBL9310902 0.83 TBXAS1 (0.53) TBXAS1KDM4E
SCHEMBL9311472 0.80 TBXAS1 (0.48) TBXAS1KDM4EALDH1A1
SCHEMBL9311476 0.80 TBXAS1 (0.48) TBXAS1KDM4EALDH1A1

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
US-5374641-A Thromboxane synthetase inhibitors, prostaglandin H2 antagonist , anticoagulants and antiallergens TERUMO KABUSHIKI KAISHA (JP) 1994-12-20 US disclosed
EP-0501876-A1 N-(3-pyridylalkyl)sulfonamide derivative and pharmaceutical preparation containing thereof TERUMO KABUSHIKI KAISHA (JP) 1992-09-02 EP disclosed