SCHEMBL9312705

SCHEMBL9312705

CCC(Oc1ccc(CC(NS(=O)(=O)c2ccc(C)cc2)c2cccnc2)cc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ADAMTS4 O75173 1/20 0.43
PPARG P37231 2/20 0.43
PPARA Q07869 2/20 0.43
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TBXA2R P21731 1/20 0.41
HTT P42858 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
SCHEMBL9311342 0.94 SMN1; SMN2 (0.44) POLBMEN1KMT2AADAMTS4PPARG
SCHEMBL9311347 0.84 ADAMTS4 (0.47) POLBMEN1KMT2AADAMTS4PPARG
SCHEMBL9310918 0.82 TSHR (0.61) POLBMEN1KMT2AADAMTS4ALDH1A1
SCHEMBL9311344 0.78 TSHR (0.59) POLBMEN1KMT2AADAMTS4ALDH1A1
SCHEMBL11563720 0.75 KMT2A (0.52) TBXAS1POLBMEN1KMT2AALDH1A1
SCHEMBL9311729 0.75 S1PR1 (0.51) TBXAS1TBXA2R
SCHEMBL9311923 0.73 TBXAS1 (0.53) TBXAS1TBXA2R
SCHEMBL9311671 0.73 TBXAS1 (0.50) TBXAS1SMN1; SMN2TBXA2R
SCHEMBL11559524 0.73 ALDH1A1 (0.55) TBXAS1POLBMEN1KMT2AALDH1A1
SCHEMBL9312134 0.73 S1PR1 (0.49) TBXAS1ALDH1A1MAPK1TBXA2R

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