SCHEMBL9129291

SCHEMBL9129291

O=S(=O)(NCCc1ccc(OCCNc2cccnc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.64
TBXAS1 P24557 12/20 0.52
TBXA2R P21731 9/20 0.52
SGMS1 Q86VZ5 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NAMPT P43490 1/20 0.50
ADRB2 P07550 1/20 0.49
ADRB1 P08588 1/20 0.49
ADRB3 P13945 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL9130373 0.90 TBXAS1 (0.59) TBXAS1TBXA2RNAMPTMEN1KMT2A
SCHEMBL9128802 0.89 F2 (0.81) F2TBXAS1TBXA2R
SCHEMBL9129703 0.88 F2 (0.78) F2TBXAS1TBXA2RSGMS1TSHR
SCHEMBL9131485 0.82 F2 (0.58) F2TBXAS1TBXA2RSGMS1HTT
SCHEMBL9128291 0.78 F2 (1.00) F2TBXAS1TBXA2R
SCHEMBL10836333 0.78 TBXAS1 (0.71) TBXAS1TBXA2R
SCHEMBL9128346 0.78 SGMS1 (0.57) F2TBXAS1TBXA2RSGMS1SMN1; SMN2
SCHEMBL9128700 0.77 MEN1 (0.65) F2TBXAS1TBXA2RSGMS1SMN1; SMN2
SCHEMBL9485381 0.77 TBXAS1 (0.58) TBXAS1TBXA2RNAMPTADRB2ADRB1
SCHEMBL9129452 0.76 MEN1 (0.58) F2TBXA2RSGMS1HTTSMN1; SMN2

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
US-5446065-A Thromboxane antagonists BOEHRINGER MANNHEIM GMBH (DE) 1995-08-29 US disclosed
EP-0564499-B1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1995-04-12 EP disclosed
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed
WO-1992011234-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS BOEHRINGER MANNHEIM GMBH (DE) 1992-07-09 WO disclosed