SCHEMBL9485381

SCHEMBL9485381

CC(Nc1cccnc1)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.58
TBXA2R P21731 11/20 0.58
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
ADRB3 P13945 1/20 0.52
NAMPT P43490 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
POLB P06746 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
SCHEMBL9485070 0.87 HTT (0.56) TBXAS1TBXA2RMEN1KMT2A
SCHEMBL9130373 0.84 TBXAS1 (0.59) TBXAS1TBXA2RNAMPTMEN1KMT2A
SCHEMBL9485978 0.81 KMT2A (0.52) TBXAS1TBXA2RMEN1KMT2A
SCHEMBL9484732 0.79 F2 (0.57) TBXAS1TBXA2R
SCHEMBL10836333 0.79 TBXAS1 (0.71) TBXAS1TBXA2R
SCHEMBL9484173 0.77 MEN1 (0.60) TBXA2RMEN1KMT2APOLB
SCHEMBL9129291 0.77 F2 (0.64) TBXAS1TBXA2RADRB2ADRB1ADRB3
SCHEMBL10462759 0.75 MEN1 (0.64) TBXA2RMEN1KMT2A
SCHEMBL9207918 0.74 TBXAS1 (0.73) TBXAS1TBXA2R
SCHEMBL9754552 0.74 MEN1 (0.84) TBXA2RMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564499-A1 NOVEL AMINES, PROCESS FOR PRODUCING THEM AND MEDICAMENTS CONTAINING SAID COMPOUNDS. BOEHRINGER MANNHEIM GMBH (DE) 1993-10-13 EP disclosed